Chem
J-GLOBAL ID:200907018116988050   Nikkaji number:J508.659K

(1β,5β,8-syn)-6α-[[(2-Phenylcyclohexyl)carbonyl]oxy]-8-isopropyl-8-propyl-8-azabicyclo[3.2.1]octan-8-ium

(1β,5β,8-syn)-6α-[[(2-フェニルシクロヘキシル)カルボニル]オキシ]-8-イソプロピル-8-プロピル-8-アザビシクロ[3.2.1]オクタン-8-イウム
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: C26H40[N+]O2
Molecular formula furigana: C26-H40-N-O2
Molecular weight: 398.610
InChI: InChI=1S/C26H40NO2/c1-4-17-27(19(2)3)21-13-10-16-24(27)25(18-21)29-26(28)23-15-9-8-14-22(23)20-11-6-5-7-12-20/h5-7,11-12,19,21-25H,4,8-10,13-18H2,1-3H3/q+1/t21-,22?,23?,24+,25+,27-/m0/s1
InChI key: LXEMFKFMFVQHRN-LMEPPUIHSA-N
SMILES: CCC[N@+]1(C(C)C)[C@@H]2C[C@@H](OC(=O)C3CCCCC3c3ccccc3)[C@H]1CCC2
Systematic name  (3):
  • (1β,5β,8-syn)-6α-[[(2-フェニルシクロヘキシル)カルボニル]オキシ]-8-イソプロピル-8-プロピル-8-アザビシクロ[3.2.1]オクタン-8-イウム
  • (1S,5R,6R,8S)-6-(2-フェニルシクロヘキサンカルボニルオキシ)-8-(プロパン-2-イル)-8-プロピル-8-アザビシクロ[3.2.1]オクタン-8-イウム
  • (1S,5R,6R,8S)-6-(2-phenylcyclohexanecarbonyloxy)-8-(propan-2-yl)-8-propyl-8-azabicyclo[3.2.1]octan-8-ium
Other name (1):
  • (1β,5β,8-syn)-6α-[[(2-Phenylcyclohexyl)carbonyl]oxy]-8-isopropyl-8-propyl-8-azabicyclo[3.2.1]octan-8-ium
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