Molecule FYI-1016164

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A

Molecule Summary:

ID: FYI-1016164
Names:
InChIKey: PHIQHXFUZVPYII-ZCFIWIBFSA-N
SMILES: C[N+](C)(C)C[C@H](O)CC(=O)[O-]

Received at FYIcenter.com on: 2025-11-28

Molecule ID: FYI-1016164 Edit

Molecule Structure InChIKey: PHIQHXFUZVPYII-ZCFIWIBFSA-N

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

Download SDF Download SVG Structure in 2D SDF:

FYI-1016164
FYIcenter.com

 11 10  0  0  1  0  0  0  0  0999 V2000
    3.6374    0.0000    0.0000 O   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
    4.8498    2.1000    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 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.0000    0.0000 O   0  5  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  1  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  2  0  0  0  0
  6  4  1  0  0  0  0
  7  2  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  8  1  0  0  0  0
 11  8  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1016164-3D
FYIcenter.com

 26 25  0     1  0  0  0  0  0999 V2000
   -0.0831   -1.5880   -0.3056 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4296    1.0108    0.2338 O   0  5  0  0  0  0  0  0  0  0  0  0
   -2.1834   -0.1386   -1.2950 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0154    0.2883   -0.0512 N   0  3  0  0  0  0  0  0  0  0  0  0
    0.5711    0.6320    0.2839 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1997   -0.6098    0.7281 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.6908   -0.3131    1.1728 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0455   -0.7176   -1.1929 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7540    1.5518   -0.4685 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6763   -0.3442    1.0267 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5050    0.2284   -0.1321 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1420    1.0771   -0.6211 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5813    1.3908    1.0754 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2333   -1.0357    1.6383 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2935   -1.3104    1.3759 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7610   -0.3996    0.9582 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5343    0.3566    2.0236 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0207   -0.6189   -1.6853 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0105   -1.7436   -0.8176 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2750   -0.4723   -1.9302 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2669    1.9574   -1.3603 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7040    2.2691    0.3561 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7958    1.2961   -0.6848 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1645   -1.2852    1.3104 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7495    0.3348    1.8852 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5561   -2.3846   -0.0104 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1 26  1  0  0  0  0
  2 11  1  0  0  0  0
  3 11  2  0  0  0  0
  4  5  1  0  0  0  0
  4  7  1  0  0  0  0
  4  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5  6  1  0  0  0  0
  5 12  1  0  0  0  0
  5 13  1  0  0  0  0
  6 10  1  0  0  0  0
  6 14  1  0  0  0  0
  7 15  1  0  0  0  0
  7 16  1  0  0  0  0
  7 17  1  0  0  0  0
  8 18  1  0  0  0  0
  8 19  1  0  0  0  0
  8 20  1  0  0  0  0
  9 21  1  0  0  0  0
  9 22  1  0  0  0  0
  9 23  1  0  0  0  0
 10 11  1  0  0  0  0
 10 24  1  0  0  0  0
 10 25  1  0  0  0  0
M  END
$$$$

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2026-01-24, 483👍, 0💬