Chem
J-GLOBAL ID：201607001554062409   Nikkaji number：J3.462.333C

Adamantane-1-carboxylic acid (S)-(quinoline-4-yl)[1-benzyl-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-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： C37H43N[N+]O2
Molecular formula furigana： C37-H43-N2-O2
Molecular weight： 547.762
InChI： InChI=1S/C37H43N2O2/c1-2-29-24-39(23-25-8-4-3-5-9-25)15-13-30(29)19-34(39)35(32-12-14-38-33-11-7-6-10-31(32)33)41-36(40)37-20-26-16-27(21-37)18-28(17-26)22-37/h2-12,14,26-30,34-35H,1,13,15-24H2/q+1/t26-,27?,28?,29?,30?,34-,35+,37-,39?/m1/s1
InChI key： XCCROZAPNSQWLC-FJAOOQEQSA-N
SMILES： C=CC1C[N+]2(Cc3ccccc3)CCC1C[C@@H]2[C@@H](OC(=O)[C@@]12CC3C[C@@H](CC(C3)C1)C2)c1ccnc2ccccc12
Systematic name  (3)：
  • アダマンタン-1-カルボン酸(S)-(キノリン-4-イル)[1-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)-1-ベンジル-5-エテニル-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)-1-benzyl-5-ethenyl-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-benzyl-5-vinyl-1-azoniabicyclo[2.2.2]octane-2β-yl]methyl ester
Thsaurus map：
Thesaurus Map

Return to Previous Page

TOP

BOTTOM