Chem
J-GLOBAL ID:200907042368150597   Nikkaji number:J251.455I

N,N-Dimethyl-N-benzyl-N-[4-[[2-(3-undecylphenyloxy)propyl]oxycarbonyl]butyl]aminium

ベンジルジメチル{5-オキソ-5-[2-(3-ウンデシルフェノキシ)プロポキシ]ペンチル}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: C34H54[N+]O3
Molecular formula furigana: C34-H54-N-O3
Molecular weight: 524.809
InChI: InChI=1S/C34H54NO3/c1-5-6-7-8-9-10-11-12-14-20-31-23-19-24-33(27-31)38-30(2)29-37-34(36)25-17-18-26-35(3,4)28-32-21-15-13-16-22-32/h13,15-16,19,21-24,27,30H,5-12,14,17-18,20,25-26,28-29H2,1-4H3/q+1
InChI key: REXPHGAUILRIIH-UHFFFAOYSA-N
SMILES: CCCCCCCCCCCc1cccc(OC(C)COC(=O)CCCC[N+](C)(C)Cc2ccccc2)c1
Systematic name  (3):
  • N,N-ジメチル-N-ベンジル-N-[4-[[2-(3-ウンデシルフェニルオキシ)プロピル]オキシカルボニル]ブチル]アミニウム
  • ベンジルジメチル{5-オキソ-5-[2-(3-ウンデシルフェノキシ)プロポキシ]ペンチル}アザニウム
  • benzyldimethyl{5-oxo-5-[2-(3-undecylphenoxy)propoxy]pentyl}azanium
Other name (1):
  • N,N-Dimethyl-N-benzyl-N-[4-[[2-(3-undecylphenyloxy)propyl]oxycarbonyl]butyl]aminium
Regulation number (1):
  • (3)-2721
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