Chem
J-GLOBAL ID:200907025908088738   Nikkaji number:J1.177.980H

1-Propylidene-3-oxo-4β-(benzoylamino)-5α-phenylpyrazolidine-1-ium-2-ide

1-プロピリデン-3-オキソ-4β-(ベンゾイルアミノ)-5α-フェニルピラゾリジン-1-イウム-2-イド
Substance type:
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula: C19H19N[N-][N+]O2
Molecular formula furigana: C19-H19-N3-O2
Molecular weight: 321.380
InChI: InChI=1S/C19H19N3O2/c1-2-13-22-17(14-9-5-3-6-10-14)16(19(24)21-22)20-18(23)15-11-7-4-8-12-15/h3-13,16-17H,2H2,1H3,(H,20,23)/t16-,17-/m0/s1
InChI key: UNIAGMGATNWHAG-IRXDYDNUSA-N
SMILES: CCC=[N+]1[N-]C(=O)[C@@H](NC(=O)c2ccccc2)[C@@H]1c1ccccc1
Systematic name  (3):
  • 1-プロピリデン-3-オキソ-4β-(ベンゾイルアミノ)-5α-フェニルピラゾリジン-1-イウム-2-イド
  • (4S,5S)-4-ベンズアミド-3-オキソ-5-フェニル-1-プロピリデン-1λ5-ピラゾリジン-1-イリウム-2-イド
  • (4S,5S)-4-benzamido-3-oxo-5-phenyl-1-propylidene-1λ5-pyrazolidin-1-ylium-2-ide
Other name (1):
  • 1-Propylidene-3-oxo-4β-(benzoylamino)-5α-phenylpyrazolidine-1-ium-2-ide
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