Chem
J-GLOBAL ID：201607008395684058   Nikkaji number：J3.462.334A

Adamantane-1-carboxylic acid (S)-(quinoline-4-yl)[1-(4-methoxybenzyl)-5-vinyl-1-azoniabicyclo[2.2.2]octane-2β-yl]methyl ester

アダマンタン-1-カルボン酸(S)-(キノリン-4-イル)[1-(4-メトキシベンジル)-5-ビニル-1-アゾニアビシクロ[2.2.2]オクタン-2β-イル]メチル
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： C38H45N[N+]O3
Molecular formula furigana： C38-H45-N2-O3
Molecular weight： 577.788
InChI： InChI=1S/C38H45N2O3/c1-3-29-24-40(23-25-8-10-31(42-2)11-9-25)15-13-30(29)19-35(40)36(33-12-14-39-34-7-5-4-6-32(33)34)43-37(41)38-20-26-16-27(21-38)18-28(17-26)22-38/h3-12,14,26-30,35-36H,1,13,15-24H2,2H3/q+1/t26-,27?,28?,29?,30?,35-,36+,38-,40?/m1/s1
InChI key： FKUJGVJEITZLFU-DKTQEFSSSA-N
SMILES： COc1ccc(C[N+]23CCC(C[C@@H]2[C@@H](OC(=O)[C@@]24CC5C[C@@H](CC(C5)C2)C4)c2ccnc4ccccc24)C(C3)C=C)cc1
Systematic name  (3)：
  • アダマンタン-1-カルボン酸(S)-(キノリン-4-イル)[1-(4-メトキシベンジル)-5-ビニル-1-アゾニアビシクロ[2.2.2]オクタン-2β-イル]メチル
  • (2R)-5-エテニル-1-[(4-メトキシフェニル)メチル]-2-[(S)-(キノリン-4-イル)[(3r)-アダマンタン-1-カルボニルオキシ]メチル]-1-アザビシクロ[2.2.2]オクタン-1-イウム
  • (2R)-5-ethenyl-1-[(4-methoxyphenyl)methyl]-2-[(S)-(quinolin-4-yl)[(3r)-adamantane-1-carbonyloxy]methyl]-1-azabicyclo[2.2.2]octan-1-ium
Other name (1)：
  • Adamantane-1-carboxylic acid (S)-(quinoline-4-yl)[1-(4-methoxybenzyl)-5-vinyl-1-azoniabicyclo[2.2.2]octane-2β-yl]methyl ester
Thsaurus map：
Thesaurus Map

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