Chem
J-GLOBAL ID：200907008988025179   Nikkaji number：J1.935.485G

1-Butyl-2-[2-[8-(methylsulfonyloxy)-1,1,7,7-tetramethyl-2,3,6,7-tetrahydro-1H,5H-benzo[ij]quinolizine-9-yl]ethenyl]-3,3-dimethyl-3H-indole-1-ium

1-ブチル-2-[2-[8-(メチルスルホニルオキシ)-1,1,7,7-テトラメチル-2,3,6,7-テトラヒドロ-1H,5H-ベンゾ[ij]キノリジン-9-イル]エテニル]-3,3-ジメチル-3H-インドール-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： C33H45N[N+]O3S
Molecular formula furigana： C33-H45-N2-O3-S
Molecular weight： 549.790
InChI： InChI=1S/C33H45N2O3S/c1-9-10-19-35-26-14-12-11-13-24(26)33(6,7)27(35)16-15-23-22-25-29-28(30(23)38-39(8,36)37)32(4,5)18-21-34(29)20-17-31(25,2)3/h11-16,22H,9-10,17-21H2,1-8H3/q+1
InChI key： XUMZKHOGVCAUEG-UHFFFAOYSA-N
SMILES： CCCC[N+]1=C(C=Cc2cc3c4N(CCC3(C)C)CCC(C)(C)c4c2OS(=O)(=O)C)C(C)(C)c2ccccc12
Systematic name  (3)：
  • 1-ブチル-2-[2-[8-(メチルスルホニルオキシ)-1,1,7,7-テトラメチル-2,3,6,7-テトラヒドロ-1H,5H-ベンゾ[ij]キノリジン-9-イル]エテニル]-3,3-ジメチル-3H-インドール-1-イウム
  • 1-ブチル-2-{2-[6-(メタンスルホニルオキシ)-4,4,10,10-テトラメチル-1-アザトリシクロ[7.3.1.05,13]トリデカ-5,7,9(13)-トリエン-7-イル]エテニル}-3,3-ジメチル-3H-インドール-1-イウム
  • 1-butyl-2-{2-[6-(methanesulfonyloxy)-4,4,10,10-tetramethyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl]ethenyl}-3,3-dimethyl-3H-indol-1-ium
Other name (1)：
  • 1-Butyl-2-[2-[8-(methylsulfonyloxy)-1,1,7,7-tetramethyl-2,3,6,7-tetrahydro-1H,5H-benzo[ij]quinolizine-9-yl]ethenyl]-3,3-dimethyl-3H-indole-1-ium
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