Chem
J-GLOBAL ID：200907034902453280   Nikkaji number：J33.870B

Octylonium

オクチロニウム
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： C29H43N[N+]O4
Molecular formula furigana： C29-H43-N2-O4
Molecular weight： 483.672
InChI： InChI=1S/C29H42N2O4/c1-5-8-9-10-11-14-22-34-27-16-13-12-15-26(27)28(32)30-25-19-17-24(18-20-25)29(33)35-23-21-31(4,6-2)7-3/h12-13,15-20H,5-11,14,21-23H2,1-4H3/p+1
InChI key： NQHNLNLJPDMBFN-UHFFFAOYSA-O
SMILES： CCCCCCCCOc1ccccc1C(=O)Nc1ccc(cc1)C(=O)OCC[N+](C)(CC)CC
Systematic name  (4)：
  • N,N-ジエチル-N-メチル-2-[4-[(2-オクチルオキシベンゾイル)アミノ]ベンゾイルオキシ]エタンアミニウム
  • N,N-ジエチル-N-メチル-2-[[4-[[2-(オクチルオキシ)ベンゾイル]アミノ]ベンゾイル]オキシ]エタンアミニウム
  • ジエチル(メチル)(2-{4-[2-(オクチルオキシ)ベンズアミド]ベンゾイルオキシ}エチル)アザニウム
  • diethyl(methyl)(2-{4-[2-(octyloxy)benzamido]benzoyloxy}ethyl)azanium
Other name (4)：
  • オクチロニウム
  • Octylonium
  • N,N-Diethyl-N-methyl-2-[4-[(2-octyloxybenzoyl)amino]benzoyloxy]ethanaminium
  • N,N-Diethyl-N-methyl-2-[[4-[[2-(octyloxy)benzoyl]amino]benzoyl]oxy]ethanaminium
CAS registry number： 105360-89-2
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