Chem
J-GLOBAL ID:200907027700980052   Nikkaji number:J701.990D

6-Vinyl-4-[(S)-(phenyloxy)[(1S,2R,4β)-1-benzyl-8-vinyl-1-azoniabicyclo[2.2.2]octan-2-yl]methyl]quinoline

6-ビニル-4-[(S)-(フェニルオキシ)[(1S,2R,4β)-1-ベンジル-8-ビニル-1-アゾニアビシクロ[2.2.2]オクタン-2-イル]メチル]キノリン
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: C34H35N[N+]O
Molecular formula furigana: C34-H35-N2-O
Molecular weight: 487.666
InChI: InChI=1S/C34H35N2O/c1-3-25-15-16-32-31(21-25)30(17-19-35-32)34(37-29-13-9-6-10-14-29)33-22-28-18-20-36(33,24-27(28)4-2)23-26-11-7-5-8-12-26/h3-17,19,21,27-28,33-34H,1-2,18,20,22-24H2/q+1/t27?,28-,33+,34-,36+/m0/s1
InChI key: PHZJJIJOYQTLJO-BMVOCJFWSA-N
SMILES: C=CC1C[N@+]2(Cc3ccccc3)CC[C@H]1C[C@@H]2[C@@H](Oc1ccccc1)c1ccnc2ccc(C=C)cc12
Systematic name  (3):
  • 6-ビニル-4-[(S)-(フェニルオキシ)[(1S,2R,4β)-1-ベンジル-8-ビニル-1-アゾニアビシクロ[2.2.2]オクタン-2-イル]メチル]キノリン
  • (1S,2R,4S)-1-ベンジル-5-エテニル-2-[(S)-(6-エテニルキノリン-4-イル)(フェノキシ)メチル]-1-アザビシクロ[2.2.2]オクタン-1-イウム
  • (1S,2R,4S)-1-benzyl-5-ethenyl-2-[(S)-(6-ethenylquinolin-4-yl)(phenoxy)methyl]-1-azabicyclo[2.2.2]octan-1-ium
Other name (1):
  • 6-Vinyl-4-[(S)-(phenyloxy)[(1S,2R,4β)-1-benzyl-8-vinyl-1-azoniabicyclo[2.2.2]octan-2-yl]methyl]quinoline
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