Molecule FYI-1016785

A

Molecule Summary:

ID: FYI-1016785
Names:
InChIKey: HACOCUMLBPNDIN-UHFFFAOYSA-M
SMILES: N#Cc5c3cc1CCCN2CCCc(c12)c3oc6c4CCC[N+]7=c4c(cc56)CCC7.O=Cl(=O)(=O)[O-]

Received at FYIcenter.com on: 2026-03-13

Molecule ID: FYI-1016785 Edit

Molecule Structure InChIKey: HACOCUMLBPNDIN-UHFFFAOYSA-M

Molecule Structure SMILES String: N#Cc5c3cc1CCCN2CCCc(c12)c3oc6c4CCC[N+]7=c4c(cc56)CCC7.O=Cl(=O)(=O)[O-]

Download SDF Download SVG Structure in 2D SDF:

FYI-1016785
FYIcenter.com

 35 40  0  0  0  0  0  0  0  0999 V2000
    0.0000    6.0623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    4.8499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    4.8499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8000    3.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2000    3.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9000    4.8499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2000    6.0623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8000    6.0623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    7.2747    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    7.2747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8000    8.4871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2000    8.4871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9000    7.2747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3000    4.8499    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0000    3.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4000    3.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1000    4.8499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5000    4.8499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2000    3.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5000    2.4249    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    9.1000    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4000    1.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0000    1.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3000    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9000    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2000    1.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.1000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2000    1.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3000    2.4249    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   14.5124    3.1249    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   15.7248    2.4249    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3000    3.8249    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5124    4.5249    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  2  0  0  0  0
  5  4  1  0  0  0  0
  6  5  2  0  0  0  0
  7  6  1  0  0  0  0
  8  7  2  0  0  0  0
  8  3  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 10  1  1  0  0  0  0
 11  9  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  1  0  0  0  0
 13  7  1  0  0  0  0
 14  6  1  0  0  0  0
 15 14  1  0  0  0  0
 16 15  2  0  0  0  0
 17 16  1  0  0  0  0
 18 17  1  0  0  0  0
 19 18  1  0  0  0  0
 20 19  1  0  0  0  0
 21 20  2  0  0  0  0
 21 16  1  0  0  0  0
 22 21  1  0  0  0  0
 23 22  2  0  0  0  0
 24 23  1  0  0  0  0
 24 15  1  0  0  0  0
 25 24  2  0  0  0  0
 25  5  1  0  0  0  0
 26 25  1  0  0  0  0
 27 26  3  0  0  0  0
 28 22  1  0  0  0  0
 29 28  1  0  0  0  0
 30 29  1  0  0  0  0
 30 20  1  0  0  0  0
 32 31  1  0  0  0  0
 33 32  2  0  0  0  0
 34 32  2  0  0  0  0
 35 32  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1016785-3D
FYIcenter.com

 61 66  0  0  0  0  0  0  0  0999 V2000
   11.6159    2.4658    0.0872 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.4818    1.9145    0.0880 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1147    1.2500    0.0891 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3144    0.1673    0.5148 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4056   -0.6371    1.5634 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9335   -1.8027    1.0525 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0426   -2.2824    1.0560 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6555   -3.5809   -0.2654 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9747   -4.2823   -1.2873 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5053   -3.5252   -1.2580 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6002   -4.2983   -0.6572 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0452   -4.6439    0.6724 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7505   -3.7279    0.7942 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4183   -2.0779   -0.4308 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6218   -2.2413   -0.1788 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3508   -0.3370   -0.3453 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2833    0.8084   -0.6039 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6763    2.3563   -0.2743 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9265    3.7259   -0.2510 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3732    4.3561   -0.4090 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9045    5.9165   -0.2209 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9212    6.9742   -0.0385 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3034    6.4409    0.0091 N   0  3  0  0  0  0  0  0  0  0  0  0
    6.7415    5.1805   -0.0574 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2101    4.9957    0.0131 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7644    3.7937   -0.0222 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2130    2.4032   -0.0619 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1613    6.1334    0.1370 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6368    7.5276    0.2145 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1642    7.7012    0.1445 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2329    0.1098    0.2778 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6564    0.1051    0.2197 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.1328   -0.9831   -0.6003 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0712    1.3926   -0.3312 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2012   -0.0172    1.5903 O   0  5  0  0  0  0  0  0  0  0  0  0
    9.3048   -0.5957    2.1711 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7812   -2.6537    2.0478 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4458   -1.4131    0.7549 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2126   -4.4435    0.2794 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8432   -3.2672   -0.9271 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6658   -4.4070   -2.3293 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1442   -5.3285   -0.9456 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.5123   -3.6891   -0.5423 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8968   -5.1857   -1.2254 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7438   -4.4825    1.5048 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7508   -5.7018    0.7215 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7795   -3.5057    1.9160 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9533   -4.4777    0.9245 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0428    4.1683   -1.4348 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7117    3.8573    0.3035 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2947    6.2614   -1.0799 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1845    6.0502    0.6086 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7524    7.5747    0.8822 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8710    7.7438   -0.8352 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8362    3.9150    0.0750 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8529    6.0882   -0.7121 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7659    5.9647    1.0388 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9947    7.9979    1.1398 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0857    8.1158   -0.5941 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9287    8.3614   -0.7052 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8216    8.2471    1.0401 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  3  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3 27  2  0  0  0  0
  4  5  1  0  0  0  0
  4 16  2  0  0  0  0
  5  6  2  0  0  0  0
  5 36  1  0  0  0  0
  6  7  1  0  0  0  0
  6 15  1  0  0  0  0
  7  8  1  0  0  0  0
  7 37  1  0  0  0  0
  7 38  1  0  0  0  0
  8  9  1  0  0  0  0
  8 39  1  0  0  0  0
  8 40  1  0  0  0  0
  9 10  1  0  0  0  0
  9 41  1  0  0  0  0
  9 42  1  0  0  0  0
 10 11  1  0  0  0  0
 10 15  1  0  0  0  0
 11 12  1  0  0  0  0
 11 43  1  0  0  0  0
 11 44  1  0  0  0  0
 12 13  1  0  0  0  0
 12 45  1  0  0  0  0
 12 46  1  0  0  0  0
 13 14  1  0  0  0  0
 13 47  1  0  0  0  0
 13 48  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 27  1  0  0  0  0
 19 20  1  0  0  0  0
 19 24  1  0  0  0  0
 20 21  1  0  0  0  0
 20 49  1  0  0  0  0
 20 50  1  0  0  0  0
 21 22  1  0  0  0  0
 21 51  1  0  0  0  0
 21 52  1  0  0  0  0
 22 23  1  0  0  0  0
 22 53  1  0  0  0  0
 22 54  1  0  0  0  0
 23 24  2  0  0  0  0
 23 30  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 25 28  1  0  0  0  0
 26 27  1  0  0  0  0
 26 55  1  0  0  0  0
 28 29  1  0  0  0  0
 28 56  1  0  0  0  0
 28 57  1  0  0  0  0
 29 30  1  0  0  0  0
 29 58  1  0  0  0  0
 29 59  1  0  0  0  0
 30 60  1  0  0  0  0
 30 61  1  0  0  0  0
 31 32  2  0  0  0  0
 32 33  2  0  0  0  0
 32 34  2  0  0  0  0
 32 35  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2026-03-22, 746👍, 0💬