Molecule FYI-1005330

A

Molecule Summary:

ID: FYI-1005330
Names:
InChIKey: CXSJGSDRCVHOLD-IEAUQHRDSA-N
SMILES: C[C@@H]3CC[C@@H](C(C)C)C(OC[n+]2cn(C)c1ccccc12)C3

Received at FYIcenter.com on: 2023-10-25

Molecule ID: FYI-1005330 Edit

Molecule Structure InChIKey: CXSJGSDRCVHOLD-IEAUQHRDSA-N

Molecule Structure SMILES String: C[C@@H]3CC[C@@H](C(C)C)C(OC[n+]2cn(C)c1ccccc12)C3

Download SDF Download SVG Structure in 2D SDF:

FYI-1005330
FYIcenter.com

 22 24  0  0  1  0  0  0  0  0999 V2000
    9.3598    7.1624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7904    5.8833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.4209    5.5923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.2000    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    6.0622    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4249    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8497    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5535    3.6306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9861    2.2991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.2923    3.0483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8597    4.3799    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4904    4.6709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 22 21  2  0  0  0  0
 22  2  1  0  0  0  0
 22 17  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1005330-3D
FYIcenter.com

 51 53  0  0  1  0  0  0  0  0999 V2000
    1.1962   -0.0479    1.9127 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0293   -0.0390    0.3870 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.3744    1.2681   -0.0877 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1313    1.3141    0.1822 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8785    0.1128   -0.4466 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.8915    0.1404   -2.0063 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6039   -1.0484   -2.6737 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5593    1.4266   -2.5122 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2607   -1.1489    0.1822 C   0  0  3  0  0  0  0  0  0  0  0  0
   -1.8927   -2.3777   -0.1721 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2466   -2.5132    0.2280 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3872   -2.4274    1.6685 N   0  3  0  0  0  0  0  0  0  0  0  0
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   -4.2683   -1.8947    3.5849 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2308   -1.4023    4.5566 C   0  0  0  0  0  0  0  0  0  0  0  0
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  3 27  1  0  0  0  0
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  4  5  1  0  0  0  0
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  6 32  1  0  0  0  0
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 14 16  1  0  0  0  0
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 22 51  1  0  0  0  0
M  END
$$$$

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2023-11-02, 1608👍, 0💬