Molecule FYI-1016191

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Molecule Summary:

ID: FYI-1016191
Names:
InChIKey: MXNRLFUSFKVQSK-QMMMGPOBSA-N
SMILES: C[N+](C)(C)CCCC[C@H](N)C(=O)[O-]

Received at FYIcenter.com on: 2025-11-29

Molecule ID: FYI-1016191 Edit

Molecule Structure InChIKey: MXNRLFUSFKVQSK-QMMMGPOBSA-N

Molecule Structure SMILES String: C[N+](C)(C)CCCC[C@H](N)C(=O)[O-]

Download SDF Download SVG Structure in 2D SDF:

FYI-1016191
FYIcenter.com

 13 12  0  0  1  0  0  0  0  0999 V2000
    7.2746    3.5000    0.0000 N   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    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    0.0000    0.0000 O   0  5  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
    4.8498    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.4000    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    1.9124    0.1876    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
    0.5124    2.6124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  6  0  0  0
  3  2  1  0  0  0  0
  4  3  2  0  0  0  0
  5  3  1  0  0  0  0
  6  2  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 10  1  0  0  0  0
 13 10  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1016191-3D
FYIcenter.com

 33 32  0     1  0  0  0  0  0999 V2000
    3.2962   -0.9260   -1.3124 O   0  5  0  0  0  0  0  0  0  0  0  0
    3.6844   -1.4935    0.8656 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4755   -0.1306   -0.0319 N   0  3  0  0  0  0  0  0  0  0  0  0
    3.7681    1.6000   -0.1576 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1454   -0.5544    0.4647 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0702    0.4382    0.0401 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3405    0.0335    0.4793 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8477    1.2558    0.5142 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4887   -0.0562   -1.5658 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5646   -1.1213    0.4051 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3878    1.0262   -0.0407 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8043    0.6512    0.4054 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.3109   -0.7228   -0.0660 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9340   -1.5530    0.0634 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1945   -0.6281    1.5578 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2616    1.4300    0.4619 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0414    0.5455   -1.0483 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3844   -0.0131    1.5740 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5583   -0.9725    0.1020 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7112    1.2471    1.5994 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2286    2.0208    0.0396 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8969    1.4472    0.2673 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9068    0.8047   -1.9029 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0845   -0.9927   -1.9608 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5264    0.0725   -1.8902 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5296   -0.7766    0.0223 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3153   -2.1031   -0.0077 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5743   -1.1542    1.4985 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3319    1.0569   -1.1368 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1437    2.0342    0.3187 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.7037    1.4991 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5351    2.5434    0.1514 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6862    1.6145   -1.1742 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 13  1  0  0  0  0
  2 13  2  0  0  0  0
  3  5  1  0  0  0  0
  3  8  1  0  0  0  0
  3  9  1  0  0  0  0
  3 10  1  0  0  0  0
  4 12  1  0  0  0  0
  4 32  1  0  0  0  0
  4 33  1  0  0  0  0
  5  6  1  0  0  0  0
  5 14  1  0  0  0  0
  5 15  1  0  0  0  0
  6  7  1  0  0  0  0
  6 16  1  0  0  0  0
  6 17  1  0  0  0  0
  7 11  1  0  0  0  0
  7 18  1  0  0  0  0
  7 19  1  0  0  0  0
  8 20  1  0  0  0  0
  8 21  1  0  0  0  0
  8 22  1  0  0  0  0
  9 23  1  0  0  0  0
  9 24  1  0  0  0  0
  9 25  1  0  0  0  0
 10 26  1  0  0  0  0
 10 27  1  0  0  0  0
 10 28  1  0  0  0  0
 11 12  1  0  0  0  0
 11 29  1  0  0  0  0
 11 30  1  0  0  0  0
 12 13  1  0  0  0  0
 12 31  1  0  0  0  0
M  END
$$$$

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2025-12-09, 355👍, 0💬