Chem
J-GLOBAL ID：200907002881212679   Nikkaji number：J1.753.989B

(9S)-9-(Benzyloxy)-1-(9-anthrylmethyl)cinchonan-1-ium

(9S)-9-(ベンジルオキシ)-1-(9-アントリルメチル)シンコナン-1-イウム
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： C41H39N[N+]O
Molecular formula furigana： C41-H39-N2-O
Molecular weight： 575.775
InChI： InChI=1S/C41H39N2O/c1-2-30-26-43(27-38-34-16-8-6-14-32(34)24-33-15-7-9-17-35(33)38)23-21-31(30)25-40(43)41(44-28-29-12-4-3-5-13-29)37-20-22-42-39-19-11-10-18-36(37)39/h2-20,22,24,30-31,40-41H,1,21,23,25-28H2/q+1/t30-,31-,40+,41-,43-/m0/s1
InChI key： UXGHXFBEXVVMKE-DZNNXFQISA-N
SMILES： C=C[C@H]1C[N@+]2(Cc3c4ccccc4cc4ccccc34)CC[C@H]1C[C@@H]2[C@@H](OCc1ccccc1)c1ccnc2ccccc12
Systematic name  (4)：
  • (9S)-1-(9-アントラセニルメチル)-9-(ベンジルオキシ)シンコナン-1-イウム
  • (9S)-9-(ベンジルオキシ)-1-(9-アントリルメチル)シンコナン-1-イウム
  • (1S,2R,4S,5R)-1-[(アントラセン-9-イル)メチル]-2-[(S)-(ベンジルオキシ)(キノリン-4-イル)メチル]-5-エテニル-1-アザビシクロ[2.2.2]オクタン-1-イウム
  • (1S,2R,4S,5R)-1-[(anthracen-9-yl)methyl]-2-[(S)-(benzyloxy)(quinolin-4-yl)methyl]-5-ethenyl-1-azabicyclo[2.2.2]octan-1-ium
Other name (2)：
  • (9S)-1-(9-Anthracenylmethyl)-9-(benzyloxy)cinchonan-1-ium
  • (9S)-9-(Benzyloxy)-1-(9-anthrylmethyl)cinchonan-1-ium
Thsaurus map：
Thesaurus Map

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