Chem
J-GLOBAL ID：200907021785997597   Nikkaji number：J13.637I

Candicine

カンジシン
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： C11H18[N+]O
Molecular formula furigana： C11-H18-N-O
Molecular weight： 180.270
InChI： InChI=1S/C11H17NO/c1-12(2,3)9-8-10-4-6-11(13)7-5-10/h4-7H,8-9H2,1-3H3/p+1
InChI key： PTOJXIKSKSASRB-UHFFFAOYSA-O
SMILES： C[N+](C)(C)CCc1ccc(O)cc1
Systematic name  (4)：
  • トリメチル[2-(4-ヒドロキシフェニル)エチル]アミニウム
  • 4-[2-(トリメチルアミニオ)エチル]フェノール
  • [2-(4-ヒドロキシフェニル)エチル]トリメチルアザニウム
  • [2-(4-hydroxyphenyl)ethyl]trimethylazanium
Other name (6)：
  • カンジシン
  • Candicine
  • Trimethyl[2-(4-hydroxyphenyl)ethyl]aminium
  • 4-[2-(Trimethylaminio)ethyl]phenol
  • N-メチルホルデニン
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CAS registry number： 6656-13-9
KEGG COMPOUND： C10575
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