Chem
J-GLOBAL ID：200907056074692023   Nikkaji number：J1.429.587I

2-(2-Bromo-4,5-dimethoxybenzyl)isoquinolinium

2-(2-ブロモ-4,5-ジメトキシベンジル)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： C18H17Br[N+]O2
Molecular formula furigana： C18-H17-BR-N-O2
Molecular weight： 359.242
InChI： InChI=1S/C18H17BrNO2/c1-21-17-9-15(16(19)10-18(17)22-2)12-20-8-7-13-5-3-4-6-14(13)11-20/h3-11H,12H2,1-2H3/q+1
InChI key： QBVZJFJSRBRSSV-UHFFFAOYSA-N
SMILES： COc1cc(Br)c(C[n+]2ccc3ccccc3c2)cc1OC
Systematic name  (3)：
  • 2-(2-ブロモ-4,5-ジメトキシベンジル)イソキノリニウム
  • 2-[(2-ブロモ-4,5-ジメトキシフェニル)メチル]イソキノリン-2-イウム
  • 2-[(2-bromo-4,5-dimethoxyphenyl)methyl]isoquinolin-2-ium
Other name (1)：
  • 2-(2-Bromo-4,5-dimethoxybenzyl)isoquinolinium
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