Chem
J-GLOBAL ID：200907052807477250   Nikkaji number：J1.761.681A

(3aα,6aα)-1-(1-Methylpyridinium-3-ylcarbonyl)-6-benzyloctahydrocyclopenta[b]pyrrole-6β-ol

(3aα,6aα)-1-(1-メチルピリジニウム-3-イルカルボニル)-6-ベンジルオクタヒドロシクロペンタ[b]ピロール-6β-オール
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： C21H25N[N+]O2
Molecular formula furigana： C21-H25-N2-O2
Molecular weight： 337.442
InChI： InChI=1S/C21H25N2O2/c1-22-12-5-8-18(15-22)20(24)23-13-10-17-9-11-21(25,19(17)23)14-16-6-3-2-4-7-16/h2-8,12,15,17,19,25H,9-11,13-14H2,1H3/q+1/t17-,19+,21+/m1/s1
InChI key： UNCZNFIHXFBMJW-LMNJBCLMSA-N
SMILES： C[n+]1cccc(c1)C(=O)N1CC[C@H]2CC[C@](O)(Cc3ccccc3)[C@@H]12
Systematic name  (3)：
  • (3aα,6aα)-1-(1-メチルピリジニウム-3-イルカルボニル)-6-ベンジルオクタヒドロシクロペンタ[b]ピロール-6β-オール
  • 3-[(3aR,6S,6aS)-6-ベンジル-6-ヒドロキシ-オクタヒドロシクロペンタ[b]ピロール-1-カルボニル]-1-メチルピリジン-1-イウム
  • 3-[(3aR,6S,6aS)-6-benzyl-6-hydroxy-octahydrocyclopenta[b]pyrrole-1-carbonyl]-1-methylpyridin-1-ium
Other name (1)：
  • (3aα,6aα)-1-(1-Methylpyridinium-3-ylcarbonyl)-6-benzyloctahydrocyclopenta[b]pyrrole-6β-ol
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