Chem
J-GLOBAL ID：200907036224083747   Nikkaji number：J952.240I

1-(2-Bromo-4,5-dimethoxybenzyl)-2-methyl-6,7-dimethoxyisoquinolinium

1-(2-ブロモ-4,5-ジメトキシベンジル)-2-メチル-6,7-ジメトキシイソキノリニウム
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： C21H23Br[N+]O4
Molecular formula furigana： C21-H23-BR-N-O4
Molecular weight： 433.321
InChI： InChI=1S/C21H23BrNO4/c1-23-7-6-13-9-18(24-2)20(26-4)11-15(13)17(23)8-14-10-19(25-3)21(27-5)12-16(14)22/h6-7,9-12H,8H2,1-5H3/q+1
InChI key： FZZHWAIYQSBHLO-UHFFFAOYSA-N
SMILES： COc1cc(Br)c(Cc2[n+](C)ccc3cc(OC)c(OC)cc23)cc1OC
Systematic name  (3)：
  • 1-(2-ブロモ-4,5-ジメトキシベンジル)-2-メチル-6,7-ジメトキシイソキノリニウム
  • 1-[(2-ブロモ-4,5-ジメトキシフェニル)メチル]-6,7-ジメトキシ-2-メチルイソキノリン-2-イウム
  • 1-[(2-bromo-4,5-dimethoxyphenyl)methyl]-6,7-dimethoxy-2-methylisoquinolin-2-ium
Other name (1)：
  • 1-(2-Bromo-4,5-dimethoxybenzyl)-2-methyl-6,7-dimethoxyisoquinolinium
Thsaurus map：
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