Molecule FYI-1010509

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A

Molecule Summary:

ID: FYI-1010509
Names:
InChIKey: PLIXNJWTGNYXCH-UHFFFAOYSA-N
SMILES: CCCCCc1cc[n+](CCCCC)cc1

Received at FYIcenter.com on: 2024-06-11

Molecule ID: FYI-1010509 Edit

Molecule Structure InChIKey: PLIXNJWTGNYXCH-UHFFFAOYSA-N

Molecule Structure SMILES String: CCCCCc1cc[n+](CCCCC)cc1

Download SDF Download SVG Structure in 2D SDF:

FYI-1010509
FYIcenter.com

 16 16  0  0  0  0  0  0  0  0999 V2000
    6.0621    4.8999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    6.2999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8496    6.9999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6372    6.2999    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    3.6372    4.8999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8496    4.1999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    6.9999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    8.3999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    9.0999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124   10.4999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   11.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.1999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.7999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  1  2  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
  1 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1010509-3D
FYIcenter.com

 42 42  0     0  0  0  0  0  0999 V2000
   -1.8326    1.3757    0.0679 N   0  3  0  0  0  0  0  0  0  0  0  0
   -3.9414    0.1544   -0.5259 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2915    1.4253    0.0330 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9813   -0.1637   -0.0974 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4021    1.2303    0.1677 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5243   -1.1128    0.2269 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5079   -0.2106    0.0186 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8953    1.2813    0.1315 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1257   -2.3626   -0.4170 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0387   -1.6233   -0.2277 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2221    1.1193    1.2329 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1523    1.5874   -1.0671 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1631    1.0652    1.2950 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2347    1.5455   -1.0646 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6835   -3.6270    0.3023 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5503   -1.6844   -0.0759 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0314    0.2661   -0.4891 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6671    0.0496   -1.5827 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5765    2.2940   -0.5735 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6599    1.6227    1.0469 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6808   -0.4986   -1.0985 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5449   -0.8783    0.6124 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7472    1.5922    1.1452 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8057    1.9413   -0.5651 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4337   -1.2146    0.2203 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8409   -1.0411    1.2742 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9524    0.4837   -0.7046 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8080    0.1265    1.0181 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8215   -2.4244   -1.4684 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2200   -2.3001   -0.3986 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7632   -1.9539   -1.2359 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5794   -2.3230    0.4802 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8438    0.9545    2.1047 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7250    1.7867   -1.9648 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6551    0.8544    2.2393 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7835    1.7155   -1.9855 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9972   -3.6115    1.3510 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5948   -3.7364    0.2706 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1273   -4.5078   -0.1722 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8554   -1.3921    0.9339 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9086   -2.7025   -0.2577 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0433   -1.0179   -0.7907 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  1 11  2  0  0  0  0
  1 12  1  0  0  0  0
  2  3  1  0  0  0  0
  2  6  1  0  0  0  0
  2 17  1  0  0  0  0
  2 18  1  0  0  0  0
  3 19  1  0  0  0  0
  3 20  1  0  0  0  0
  4  5  1  0  0  0  0
  4  7  1  0  0  0  0
  4 21  1  0  0  0  0
  4 22  1  0  0  0  0
  5  8  1  0  0  0  0
  5 23  1  0  0  0  0
  5 24  1  0  0  0  0
  6  9  1  0  0  0  0
  6 25  1  0  0  0  0
  6 26  1  0  0  0  0
  7 10  1  0  0  0  0
  7 27  1  0  0  0  0
  7 28  1  0  0  0  0
  8 13  2  0  0  0  0
  8 14  1  0  0  0  0
  9 15  1  0  0  0  0
  9 29  1  0  0  0  0
  9 30  1  0  0  0  0
 10 16  1  0  0  0  0
 10 31  1  0  0  0  0
 10 32  1  0  0  0  0
 11 13  1  0  0  0  0
 11 33  1  0  0  0  0
 12 14  2  0  0  0  0
 12 34  1  0  0  0  0
 13 35  1  0  0  0  0
 14 36  1  0  0  0  0
 15 37  1  0  0  0  0
 15 38  1  0  0  0  0
 15 39  1  0  0  0  0
 16 40  1  0  0  0  0
 16 41  1  0  0  0  0
 16 42  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2024-06-30, 1287👍, 0💬