Chem
J-GLOBAL ID:200907024542519173   Nikkaji number:J203.884F

N,N-Dimethyl-N-benzyl-N-[3-[[(4-octylphenyloxy)methyl]oxycarbonyl]propyl]aminium

ベンジルジメチル{4-[(4-オクチルフェノキシ)メトキシ]-4-オキソブチル}アザニウム
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: C28H42[N+]O3
Molecular formula furigana: C28-H42-N-O3
Molecular weight: 440.647
InChI: InChI=1S/C28H42NO3/c1-4-5-6-7-8-10-14-25-18-20-27(21-19-25)31-24-32-28(30)17-13-22-29(2,3)23-26-15-11-9-12-16-26/h9,11-12,15-16,18-21H,4-8,10,13-14,17,22-24H2,1-3H3/q+1
InChI key: BSIPPSFOYRMNBQ-UHFFFAOYSA-N
SMILES: CCCCCCCCc1ccc(OCOC(=O)CCC[N+](C)(C)Cc2ccccc2)cc1
Systematic name  (3):
  • N,N-ジメチル-N-ベンジル-N-[3-[[(4-オクチルフェニルオキシ)メチル]オキシカルボニル]プロピル]アミニウム
  • ベンジルジメチル{4-[(4-オクチルフェノキシ)メトキシ]-4-オキソブチル}アザニウム
  • benzyldimethyl{4-[(4-octylphenoxy)methoxy]-4-oxobutyl}azanium
Other name (1):
  • N,N-Dimethyl-N-benzyl-N-[3-[[(4-octylphenyloxy)methyl]oxycarbonyl]propyl]aminium
Regulation number (1):
  • (3)-2721
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