Chem
J-GLOBAL ID：200907016698094927   Nikkaji number：J204.017D

N,N-Dimethyl-N-benzyl-N-[1-[[3-(2-octylphenyloxy)propyl]oxycarbonyl]butyl]aminium

ベンジルジメチル{1-[3-(2-オクチルフェノキシ)プロポキシ]-1-オキソペンタン-2-イル}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： C31H48[N+]O3
Molecular formula furigana： C31-H48-N-O3
Molecular weight： 482.728
InChI： InChI=1S/C31H48NO3/c1-5-7-8-9-10-14-21-28-22-15-16-23-30(28)34-24-17-25-35-31(33)29(18-6-2)32(3,4)26-27-19-12-11-13-20-27/h11-13,15-16,19-20,22-23,29H,5-10,14,17-18,21,24-26H2,1-4H3/q+1
InChI key： FXAFULHDACXFQN-UHFFFAOYSA-N
SMILES： CCCCCCCCc1ccccc1OCCCOC(=O)C(CCC)[N+](C)(C)Cc1ccccc1
Systematic name  (3)：
  • N,N-ジメチル-N-ベンジル-N-[1-[[3-(2-オクチルフェニルオキシ)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{1-[3-(2-オクチルフェノキシ)プロポキシ]-1-オキソペンタン-2-イル}アザニウム
  • benzyldimethyl{1-[3-(2-octylphenoxy)propoxy]-1-oxopentan-2-yl}azanium
Other name (1)：
  • N,N-Dimethyl-N-benzyl-N-[1-[[3-(2-octylphenyloxy)propyl]oxycarbonyl]butyl]aminium
Regulation number (1)：
  • (3)-2721
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