Chem
J-GLOBAL ID：200907006240508000   Nikkaji number：J1.429.573I

8-(2-Bromo-4,5-dimethoxyphenethyl)-1,3-dioxolo[4,5-h]isoquinoline-8-ium

8-(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-h]イソキノリン-8-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/c1-23-18-9-14(16(21)10-19(18)24-2)6-8-22-7-5-13-3-4-17-20(15(13)11-22)26-12-25-17/h3-5,7,9-11H,6,8,12H2,1-2H3/q+1
InChI key： DINUFJDDHISXBK-UHFFFAOYSA-N
SMILES： COc1cc(Br)c(CC[n+]2ccc3ccc4OCOc4c3c2)cc1OC
Systematic name  (3)：
  • 8-(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-h]イソキノリン-8-イウム
  • 8-[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-h]イソキノリン-8-イウム
  • 8-[2-(2-bromo-4,5-dimethoxyphenyl)ethyl]-2H-[1,3]dioxolo[4,5-h]isoquinolin-8-ium
Other name (1)：
  • 8-(2-Bromo-4,5-dimethoxyphenethyl)-1,3-dioxolo[4,5-h]isoquinoline-8-ium
Thsaurus map：
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