Molecule FYI-1016636

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Molecule Summary:

ID: FYI-1016636
Names:
InChIKey: UPHCENSIMPJEIS-UHFFFAOYSA-N
SMILES: [NH3+]CCc1ccccc1.[I-]

Received at FYIcenter.com on: 2026-02-03

Molecule ID: FYI-1016636 Edit

Molecule Structure InChIKey: UPHCENSIMPJEIS-UHFFFAOYSA-N

Molecule Structure SMILES String: [NH3+]CCc1ccccc1.[I-]

Download SDF Download SVG Structure in 2D SDF:

FYI-1016636
FYIcenter.com

 10  9  0  0  0  0  0  0  0  0999 V2000
    0.0000    1.0726    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8999    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2787    0.2432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7575    1.5586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8575    2.6312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4788    2.3880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1362    1.8018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0361    0.7294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4149    0.9725    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    8.5149    0.9725    0.0000 I   0  5  0  0  0  0  0  0  0  0  0  0
  2  1  2  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
  6  1  1  0  0  0  0
  7  4  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1016636-3D
FYIcenter.com

 22 21  0  0  0  0  0  0  0  0999 V2000
    1.1464    0.2064   -0.3879 N   0  3  0  0  0  0  0  0  0  0  0  0
    2.6053    0.1161   -0.3297 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0516   -0.7894    0.8294 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5559   -0.8905    0.9209 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3345    0.2564    1.1607 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7262    0.1585    1.2564 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3526   -1.0824    1.1181 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5890   -2.2282    0.8836 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1958   -2.1357    0.7849 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5389   -1.6868    2.4515 I   0  5  0  0  0  0  0  0  0  0  0  0
    0.8718    0.8318   -1.1795 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7772    0.6109    0.5031 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7326   -0.7411   -0.5456 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0213    1.1386   -0.1971 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9873   -0.2952   -1.2904 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6081   -1.7982    0.6782 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6655   -0.3852    1.7896 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8669    1.2257    1.2764 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3183    1.0451    1.4394 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4301   -1.1569    1.1948 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0758   -3.1893    0.7804 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6210   -3.0351    0.6054 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 11  1  0  0  0  0
  1 12  1  0  0  0  0
  1 13  1  0  0  0  0
  2  3  1  0  0  0  0
  2 14  1  0  0  0  0
  2 15  1  0  0  0  0
  3  4  1  0  0  0  0
  3 16  1  0  0  0  0
  3 17  1  0  0  0  0
  4  5  1  0  0  0  0
  4  9  2  0  0  0  0
  5  6  2  0  0  0  0
  5 18  1  0  0  0  0
  6  7  1  0  0  0  0
  6 19  1  0  0  0  0
  7  8  2  0  0  0  0
  7 20  1  0  0  0  0
  8  9  1  0  0  0  0
  8 21  1  0  0  0  0
  9 22  1  0  0  0  0
M  END
$$$$

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2026-04-13, 655👍, 0💬