Chem
J-GLOBAL ID:200907050295405691   Nikkaji number:J2.095.150H

(4β,8R)-1-(2,3,4-Trifluorobenzyl)-2α-[(R)-hydroxy(4-quinolyl)methyl]-8-ethyl-1-azoniabicyclo[2.2.2]octane

(4β,8R)-1-(2,3,4-トリフルオロベンジル)-2α-[(R)-ヒドロキシ(4-キノリル)メチル]-8-エチル-1-アゾニアビシクロ[2.2.2]オクタン
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: C26H28F3N[N+]O
Molecular formula furigana: C26-H28-F3-N2-O
Molecular weight: 441.518
InChI: InChI=1S/C26H28F3N2O/c1-2-16-14-31(15-18-7-8-21(27)25(29)24(18)28)12-10-17(16)13-23(31)26(32)20-9-11-30-22-6-4-3-5-19(20)22/h3-9,11,16-17,23,26,32H,2,10,12-15H2,1H3/q+1/t16-,17-,23-,26+,31?/m0/s1
InChI key: DWPIBXKZZWTLFE-DLQLBXJZSA-N
SMILES: CC[C@H]1C[N+]2(Cc3ccc(F)c(F)c3F)CC[C@H]1C[C@H]2[C@H](O)c1ccnc2ccccc12
Systematic name  (3):
  • (4β,8R)-1-(2,3,4-トリフルオロベンジル)-2α-[(R)-ヒドロキシ(4-キノリル)メチル]-8-エチル-1-アゾニアビシクロ[2.2.2]オクタン
  • (2S,4S,5R)-5-エチル-2-[(R)-ヒドロキシ(キノリン-4-イル)メチル]-1-[(2,3,4-トリフルオロフェニル)メチル]-1-アザビシクロ[2.2.2]オクタン-1-イウム
  • (2S,4S,5R)-5-ethyl-2-[(R)-hydroxy(quinolin-4-yl)methyl]-1-[(2,3,4-trifluorophenyl)methyl]-1-azabicyclo[2.2.2]octan-1-ium
Other name (1):
  • (4β,8R)-1-(2,3,4-Trifluorobenzyl)-2α-[(R)-hydroxy(4-quinolyl)methyl]-8-ethyl-1-azoniabicyclo[2.2.2]octane
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