Chem
J-GLOBAL ID：200907046979767366   Nikkaji number：J1.429.589E

2-[3-(2-Bromo-4,5-dimethoxyphenyl)propyl]isoquinolinium

2-[3-(2-ブロモ-4,5-ジメトキシフェニル)プロピル]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： C20H21Br[N+]O2
Molecular formula furigana： C20-H21-BR-N-O2
Molecular weight： 387.296
InChI： InChI=1S/C20H21BrNO2/c1-23-19-12-16(18(21)13-20(19)24-2)8-5-10-22-11-9-15-6-3-4-7-17(15)14-22/h3-4,6-7,9,11-14H,5,8,10H2,1-2H3/q+1
InChI key： DTCBUEVCCISECB-UHFFFAOYSA-N
SMILES： COc1cc(Br)c(CCC[n+]2ccc3ccccc3c2)cc1OC
Systematic name  (3)：
  • 2-[3-(2-ブロモ-4,5-ジメトキシフェニル)プロピル]イソキノリニウム
  • 2-[3-(2-ブロモ-4,5-ジメトキシフェニル)プロピル]イソキノリン-2-イウム
  • 2-[3-(2-bromo-4,5-dimethoxyphenyl)propyl]isoquinolin-2-ium
Other name (1)：
  • 2-[3-(2-Bromo-4,5-dimethoxyphenyl)propyl]isoquinolinium
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