Molecule FYI-1015469

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A

Molecule Summary:

ID: FYI-1015469
Names:
InChIKey: CYDRXTMLKJDRQH-UHFFFAOYSA-N
SMILES: CCCCCCCCCCCC[N+](C)(C)Cc1ccccc1

Received at FYIcenter.com on: 2025-09-03

Molecule ID: FYI-1015469 Edit

Molecule Structure InChIKey: CYDRXTMLKJDRQH-UHFFFAOYSA-N

Molecule Structure SMILES String: CCCCCCCCCCCC[N+](C)(C)Cc1ccccc1

Download SDF Download SVG Structure in 2D SDF:

FYI-1015469
FYIcenter.com

 22 22  0  0  0  0  0  0  0  0999 V2000
    1.2125    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    2.1000    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    6.0622    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.1001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    2.8001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    2.1001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    2.8001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5493    2.1001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    2.8001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    2.1002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1866    2.8002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3990    2.1002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 11  1  0  0  0  0
  9 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
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1015469-3D
FYIcenter.com

 60 60  0     0  0  0  0  0  0999 V2000
    3.7504   -0.5783   -0.8953 N   0  3  0  0  0  0  0  0  0  0  0  0
    3.0429   -1.2534    0.2174 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5303   -2.6194   -0.2216 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2758    0.7967   -0.4564 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7312   -3.4009    0.8280 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8126   -0.3680   -2.0932 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9479   -1.4145   -1.3707 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4921   -2.6934    1.3846 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5089   -2.2781    0.3034 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7649   -1.6592    0.9228 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1919    1.7115    0.0326 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8156   -1.2488   -0.1129 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0604   -0.6078    0.5046 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1059   -0.2850   -0.5655 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5333    2.5538   -0.8632 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8423    1.7194    1.3830 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3668    0.3205    0.0536 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3979    0.6738   -1.0179 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5254    3.4042   -0.4088 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8343    2.5698    1.8374 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1758    3.4122    0.9415 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.6660    1.2449   -0.4036 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7305   -1.3481    1.0661 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.3948   -3.6439    1.6674 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4255   -4.3594    0.3899 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6770   -1.3182   -2.6174 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2844    0.3357   -2.7860 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8472    0.0048   -1.7408 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5307   -0.8064   -2.0700 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5958   -2.3087   -1.8902 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5552   -1.6737   -0.4986 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7962   -1.8137    1.9641 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0003   -3.3725    2.0923 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0556   -1.5487   -0.3767 H   0  0  0  0  0  0  0  0  0  0  0  0
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    3.3512    1.0751    2.0949 H   0  0  0  0  0  0  0  0  0  0  0  0
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    1.0146    4.0622   -1.1057 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5632    2.5772    2.8891 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3916    4.0749    1.2955 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1330    0.5235    0.2745 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.3890    1.4915   -1.1874 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4516    2.1583    0.1605 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  4  1  0  0  0  0
  1  6  1  0  0  0  0
  1  7  1  0  0  0  0
  2  3  1  0  0  0  0
  2 23  1  0  0  0  0
  2 24  1  0  0  0  0
  3  5  1  0  0  0  0
  3 25  1  0  0  0  0
  3 26  1  0  0  0  0
  4 11  1  0  0  0  0
  4 27  1  0  0  0  0
  4 28  1  0  0  0  0
  5  8  1  0  0  0  0
  5 29  1  0  0  0  0
  5 30  1  0  0  0  0
  6 31  1  0  0  0  0
  6 32  1  0  0  0  0
  6 33  1  0  0  0  0
  7 34  1  0  0  0  0
  7 35  1  0  0  0  0
  7 36  1  0  0  0  0
  8  9  1  0  0  0  0
  8 37  1  0  0  0  0
  8 38  1  0  0  0  0
  9 10  1  0  0  0  0
  9 39  1  0  0  0  0
  9 40  1  0  0  0  0
 10 12  1  0  0  0  0
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 11 15  2  0  0  0  0
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 12 43  1  0  0  0  0
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 13 14  1  0  0  0  0
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 14 48  1  0  0  0  0
 15 19  1  0  0  0  0
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 16 20  2  0  0  0  0
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 18 22  1  0  0  0  0
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 19 21  2  0  0  0  0
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 21 57  1  0  0  0  0
 22 58  1  0  0  0  0
 22 59  1  0  0  0  0
 22 60  1  0  0  0  0
M  END
$$$$

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2025-11-06, 449👍, 0💬