Chem
J-GLOBAL ID:200907052869586552
Nikkaji number:J1.429.575E
2-(2-Bromo-4,5-dimethoxyphenethyl)-7,8-dimethoxyisoquinolinium
2-(2-ブロモ-4,5-ジメトキシフェネチル)-7,8-ジメトキシイソキノリニウム
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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:
C21 H23 Br[N+]O4
Molecular formula furigana:
C21-H23-BR-N-O4
Molecular weight:
433.321
InChI:
InChI=1S/C21H23BrNO4/c1-24-18-6-5-14-7-9-23(13-16(14)21(18)27-4)10-8-15-11-19(25-2)20(26-3)12-17(15)22/h5-7,9,11-13H,8,10H2,1-4H3/q+1
InChI key:
PEHMNCURXLZTRE-UHFFFAOYSA-N
SMILES:
COc1ccc2cc[n+](CCc3cc(OC)c(OC)cc3Br)cc2c1OC
Systematic name (3):
2-(2-ブロモ-4,5-ジメトキシフェネチル)-7,8-ジメトキシイソキノリニウム
2-[2-(2-ブロモ-4,5-ジメトキシフェニル)エチル]-7,8-ジメトキシイソキノリン-2-イウム
2-[2-(2-bromo-4,5-dimethoxyphenyl)ethyl]-7,8-dimethoxyisoquinolin-2-ium
Other name (1):
2-(2-Bromo-4,5-dimethoxyphenethyl)-7,8-dimethoxyisoquinolinium
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