Chem
J-GLOBAL ID：200907036849416698   Nikkaji number：J1.761.678A

(3aα,6aα)-1-(1-Methylpyridinium-3-ylcarbonyl)octahydrocyclopenta[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)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： C14H19N[N+]O2
Molecular formula furigana： C14-H19-N2-O2
Molecular weight： 247.317
InChI： InChI=1S/C14H19N2O2/c1-15-7-2-3-11(9-15)14(18)16-8-6-10-4-5-12(17)13(10)16/h2-3,7,9-10,12-13,17H,4-6,8H2,1H3/q+1/t10-,12-,13+/m1/s1
InChI key： QIDHYTVVDNHULH-RTXFEEFZSA-N
SMILES： C[n+]1cccc(c1)C(=O)N1CC[C@H]2CC[C@@H](O)[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)オクタヒドロシクロペンタ[b]ピロール-6β-オール
  • 3-[(3aR,6R,6aS)-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,6R,6aS)-6-hydroxy-octahydrocyclopenta[b]pyrrole-1-carbonyl]-1-methylpyridin-1-ium
Other name (1)：
  • (3aα,6aα)-1-(1-Methylpyridinium-3-ylcarbonyl)octahydrocyclopenta[b]pyrrole-6β-ol
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