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Substance Name: Benzenemethanaminium, N,N-dimethyl-N-(3-((1-oxoisooctadecyl)amino)propyl)-, chloride
RN: 67633-59-4
UNII: 08592GAU19
InChIKey: NXQFUHDNRBQQAE-UHFFFAOYSA-N

Molecular Formula

  • C30-H55-N2-O.Cl

Molecular Weight

  • 495.23
 
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Names and Synonyms

Name of Substance

  • Benzenemethanaminium, N,N-dimethyl-N-(3-((1-oxoisooctadecyl)amino)propyl)-, chloride
  • Isostearaminopropalkonium chloride
  • N,N-Dimethyl-N-(3-((1-oxoisooctadecyl)amino)propyl)benzenemethana- minium chloride

Synonyms

  • EINECS 266-777-5
  • N-(3-Isostearylamido)propyl-N,N-dimethyl-N-benzylammonium chloride
  • UNII-08592GAU19

Systematic Names

  • Benzenemethanaminium, N,N-dimethyl-N-(3-((1-oxoisooctadecyl)amino)propyl)-, chloride
  • Benzenemethanaminium, N,N-dimethyl-N-(3-((1-oxoisooctadecyl)amino)propyl)-, chloride (1:1)
  • Benzyldimethyl(3-((1-oxoisooctadecyl)amino)propyl)ammonium chloride

Registry Numbers

CAS Registry Number

  • 67633-59-4

FDA UNII

  • 08592GAU19

System Generated Number

  • 0067633594

Molecular Formulas

Molecular Formula

  • C30-H55-N2-O.Cl

Molecular Formula Fragments

  • C30-H55-N2-O
  • Cl
  • COMPONENT

Structure Descriptors

InChI

InChI=1S/C30H54N2O.ClH/c1-28(2)21-16-13-11-9-7-5-6-8-10-12-14-19-24-30(33)31-25-20-26-32(3,4)27-29-22-17-15-18-23-29;/h15,17-18,22-23,28H,5-14,16,19-21,24-27H2,1-4H3;1H

InChIKey

NXQFUHDNRBQQAE-UHFFFAOYSA-N

Smiles

[Cl-].CC(C)CCCCCCCCCCCCCCC(=O)NCCC[N+](C)(C)Cc1ccccc1