Molecule FYI-1005637

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A

Molecule Summary:

ID: FYI-1005637
Names:
InChIKey: RLGQACBPNDBWTB-UHFFFAOYSA-N
SMILES: CCCCCCCCCCCCCCCC[N+](C)(C)C

Received at FYIcenter.com on: 2023-11-08

Molecule ID: FYI-1005637 Edit

Molecule Structure InChIKey: RLGQACBPNDBWTB-UHFFFAOYSA-N

Molecule Structure SMILES String: CCCCCCCCCCCCCCCC[N+](C)(C)C

Download SDF Download SVG Structure in 2D SDF:

FYI-1005637
FYIcenter.com

 20 19  0  0  0  0  0  0  0  0999 V2000
   20.6114    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3990    1.9124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1866    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    1.9124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5493    1.9124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3369    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1243    1.9124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    1.9124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    1.9124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    1.9124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    1.9124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.2124    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    1.9124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.5124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5124    2.4248    0.0000 C   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  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  1  0  0  0  0
 14 13  1  0  0  0  0
 15 14  1  0  0  0  0
 16 15  1  0  0  0  0
 17 16  1  0  0  0  0
 18 17  1  0  0  0  0
 19 17  1  0  0  0  0
 20 17  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1005637-3D
FYIcenter.com

 62 61  0     0  0  0  0  0  0999 V2000
   -8.5606    0.1725    0.1068 N   0  3  0  0  0  0  0  0  0  0  0  0
   -7.3525   -0.6846    0.1497 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0913    0.1548   -0.0189 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8034   -0.6747    0.0055 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5374    0.1707   -0.1755 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2467   -0.6467   -0.0745 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9798    0.2075   -0.1966 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3105   -0.6125   -0.1217 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5785    0.2456   -0.1850 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.8304   -0.6592    0.3399 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.6908    0.8666   -1.2567 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4992    1.2597    1.1897 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9022   -0.5094   -0.0279 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1356    0.3886   -0.1555 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4247   -0.4190    0.0186 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6966    0.4303   -0.0775 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9835   -0.3847    0.0752 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2524    0.4741    0.0502 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5385   -0.3331    0.2312 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7697    0.5538    0.1230 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4345   -1.4337   -0.6472 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.5734    0.6733   -1.1497 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.9776    0.9590    0.6026 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3278   -1.3418   -0.9407 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3170   -1.1861    0.8134 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5236    1.0138    0.5968 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5886    0.7808   -1.1430 H   0  0  0  0  0  0  0  0  0  0  0  0
  -10.6996    0.0035    0.2951 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.7539   -1.1268    1.3259 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.8859   -1.4201   -0.4441 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9173    1.6308   -1.3612 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.6727    1.3487   -1.2997 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.6091    0.1072   -2.0397 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2572    0.7837    2.1443 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7577    2.0148    0.9177 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.4824    1.7379    1.2462 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9125   -1.0076    0.9493 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9512   -1.3002   -0.7866 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1369    0.8770   -1.1372 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0930    1.1807    0.6013 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4626   -1.2063   -0.7447 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4068   -0.9237    0.9927 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6662    1.2057    0.6979 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7125    0.9492   -1.0438 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9474   -0.9387    1.0213 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0356   -1.1311   -0.7270 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1895    1.2326    0.8405 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2945    1.0147   -0.9036 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.5938   -1.1186   -0.5313 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.5308   -0.8288    1.2086 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.8217    1.0354   -0.8586 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.6781   -0.0416    0.2577 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7586    1.3352    0.8896 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 10  1  0  0  0  0
  1 11  1  0  0  0  0
  1 12  1  0  0  0  0
  2  3  1  0  0  0  0
  2 21  1  0  0  0  0
  2 22  1  0  0  0  0
  3  4  1  0  0  0  0
  3 23  1  0  0  0  0
  3 24  1  0  0  0  0
  4  5  1  0  0  0  0
  4 25  1  0  0  0  0
  4 26  1  0  0  0  0
  5  6  1  0  0  0  0
  5 27  1  0  0  0  0
  5 28  1  0  0  0  0
  6  7  1  0  0  0  0
  6 29  1  0  0  0  0
  6 30  1  0  0  0  0
  7  8  1  0  0  0  0
  7 31  1  0  0  0  0
  7 32  1  0  0  0  0
  8  9  1  0  0  0  0
  8 33  1  0  0  0  0
  8 34  1  0  0  0  0
  9 13  1  0  0  0  0
  9 35  1  0  0  0  0
  9 36  1  0  0  0  0
 10 37  1  0  0  0  0
 10 38  1  0  0  0  0
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 11 40  1  0  0  0  0
 11 41  1  0  0  0  0
 11 42  1  0  0  0  0
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 13 14  1  0  0  0  0
 13 46  1  0  0  0  0
 13 47  1  0  0  0  0
 14 15  1  0  0  0  0
 14 48  1  0  0  0  0
 14 49  1  0  0  0  0
 15 16  1  0  0  0  0
 15 50  1  0  0  0  0
 15 51  1  0  0  0  0
 16 17  1  0  0  0  0
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 16 53  1  0  0  0  0
 17 18  1  0  0  0  0
 17 54  1  0  0  0  0
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 18 19  1  0  0  0  0
 18 56  1  0  0  0  0
 18 57  1  0  0  0  0
 19 20  1  0  0  0  0
 19 58  1  0  0  0  0
 19 59  1  0  0  0  0
 20 60  1  0  0  0  0
 20 61  1  0  0  0  0
 20 62  1  0  0  0  0
M  END
$$$$

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2023-11-13, 1337👍, 0💬