Chem
J-GLOBAL ID：200907015054466010   Nikkaji number：J354.009J

Clofilium

クロフィリウム
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： C21H37Cl[N+]
Molecular formula furigana： C21-H37-CL-N
Molecular weight： 338.980
InChI： InChI=1S/C21H37ClN/c1-4-7-8-9-11-18-23(5-2,6-3)19-12-10-13-20-14-16-21(22)17-15-20/h14-17H,4-13,18-19H2,1-3H3/q+1
InChI key： WPSYTTKBGAZSCX-UHFFFAOYSA-N
SMILES： CCCCCCC[N+](CC)(CC)CCCCc1ccc(Cl)cc1
Systematic name  (3)：
  • N,N-ジエチル-N-ヘプチル-4-クロロベンゼンブタン-1-アミニウム
  • [4-(4-クロロフェニル)ブチル]ジエチルヘプチルアザニウム
  • [4-(4-chlorophenyl)butyl]diethylheptylazanium
Other name (3)：
  • Clofilium
  • クロフィリウム
  • N,N-Diethyl-N-heptyl-4-chlorobenzenebutan-1-aminium
CAS registry number： 68379-02-2
KEGG COMPOUND： C13772
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