Chem
J-GLOBAL ID：200907087680503581   Nikkaji number：J1.429.572K

6-(2-Bromo-4,5-dimethoxyphenethyl)-1,3-dioxolo[4,5-g]isoquinoline-6-ium

6-(2-ブロモ-4,5-ジメトキシフェネチル)-1,3-ジオキソロ[4,5-g]イソキノリン-6-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： C20H19Br[N+]O4
Molecular formula furigana： C20-H19-BR-N-O4
Molecular weight： 417.278
InChI： InChI=1S/C20H19BrNO4/c1-23-17-8-14(16(21)10-18(17)24-2)4-6-22-5-3-13-7-19-20(26-12-25-19)9-15(13)11-22/h3,5,7-11H,4,6,12H2,1-2H3/q+1
InChI key： KOZSHMMWEJLXHG-UHFFFAOYSA-N
SMILES： COc1cc(Br)c(CC[n+]2ccc3cc4OCOc4cc3c2)cc1OC
Systematic name  (3)：
  • 6-(2-ブロモ-4,5-ジメトキシフェネチル)-1,3-ジオキソロ[4,5-g]イソキノリン-6-イウム
  • 6-[2-(2-ブロモ-4,5-ジメトキシフェニル)エチル]-2H-[1,3]ジオキソロ[4,5-g]イソキノリン-6-イウム
  • 6-[2-(2-bromo-4,5-dimethoxyphenyl)ethyl]-2H-[1,3]dioxolo[4,5-g]isoquinolin-6-ium
Other name (1)：
  • 6-(2-Bromo-4,5-dimethoxyphenethyl)-1,3-dioxolo[4,5-g]isoquinoline-6-ium
Thsaurus map：
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