Chem
J-GLOBAL ID：201607013896982494   Nikkaji number：J3.462.335J

(S)-(Quinoline-4-yl)[1-benzyl-5-vinyl-1-azoniabicyclo[2.2.2]octane-2β-yl]methanol

(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]メタノール
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： C26H29N[N+]O
Molecular formula furigana： C26-H29-N2-O
Molecular weight： 385.530
InChI： InChI=1S/C26H29N2O/c1-2-20-18-28(17-19-8-4-3-5-9-19)15-13-21(20)16-25(28)26(29)23-12-14-27-24-11-7-6-10-22(23)24/h2-12,14,20-21,25-26,29H,1,13,15-18H2/q+1/t20?,21?,25-,26+,28?/m1/s1
InChI key： RTHFVUKMXCJYPA-GYFYPIONSA-N
SMILES： O[C@H]([C@H]1CC2CC[N+]1(Cc1ccccc1)CC2C=C)c1ccnc2ccccc12
Systematic name  (3)：
  • (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]メタノール
  • (2R)-1-ベンジル-5-エテニル-2-[(S)-ヒドロキシ(キノリン-4-イル)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)-hydroxy(quinolin-4-yl)methyl]-1-azabicyclo[2.2.2]octan-1-ium
Other name (1)：
  • (S)-(Quinoline-4-yl)[1-benzyl-5-vinyl-1-azoniabicyclo[2.2.2]octane-2β-yl]methanol
Thsaurus map：
Thesaurus Map

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