Chem
J-GLOBAL ID：201207044309867176   Nikkaji number：J3.038.020G

Convolutamine J

コンボルタミンJ
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： C14H18Br3N[N+]O
Molecular formula furigana： C14-H18-BR3-N2-O
Molecular weight： 470.022
InChI： InChI=1S/C14H18Br3N2O/c1-18-5-3-6-19(9-18)7-4-10-11(15)8-12(16)14(20-2)13(10)17/h8-9H,3-7H2,1-2H3/q+1
InChI key： SUDFBSPZLXGBCI-UHFFFAOYSA-N
SMILES： COc1c(Br)cc(Br)c(CCN2CCC[N+](=C2)C)c1Br
Systematic name  (3)：
  • 1-メチル-3-(2,4,6-トリブロモ-3-メトキシフェネチル)-3,4,5,6-テトラヒドロピリミジン-1-イウム
  • 1-メチル-3-[2-(2,4,6-トリブロモ-3-メトキシフェニル)エチル]-3,4,5,6-テトラヒドロピリミジン-1-イウム
  • 1-methyl-3-[2-(2,4,6-tribromo-3-methoxyphenyl)ethyl]-3,4,5,6-tetrahydropyrimidin-1-ium
Other name (3)：
  • 1-Methyl-3-(2,4,6-tribromo-3-methoxyphenethyl)-3,4,5,6-tetrahydropyrimidine-1-ium
  • コンボルタミンJ
  • Convolutamine J
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