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Substance Name: Dimethyl(octadecyl)(3-(stearoylamino)propyl)ammonium toluene-p-sulphonate
RN: 83554-37-4
InChIKey: SHZVCMDZRTWPGH-UHFFFAOYSA-N

Molecular Formula

  • C41-H85-N2-O.C7-H7-O3-S

Molecular Weight

  • 793.3308
 
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Names and Synonyms

Synonym

  • EINECS 280-480-8

Systematic Names

  • 1-Octadecanaminium, N,N-dimethyl-N-(3-((1-oxooctadecyl)amino)propyl)-, salt with 4-methylbenzenesulfonic acid (1:1)
  • Dimethyl(octadecyl)(3-(stearoylamino)propyl)ammonium toluene-p-sulphonate

Registry Numbers

CAS Registry Number

  • 83554-37-4

System Generated Number

  • 0083554374

Molecular Formulas

Molecular Formula

  • C41-H85-N2-O.C7-H7-O3-S

Molecular Formula Fragments

  • C41-H85-N2-O
  • C7-H7-O3-S
  • COMPONENT

Structure Descriptors

InChI

1S/C41H84N2O.C7H8O3S/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-39-43(3,4)40-36-38-42-41(44)37-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-2;1-6-2-4-7(5-3-6)11(8,9)10/h5-40H2,1-4H3;2-5H,1H3,(H,8,9,10)

InChIKey

SHZVCMDZRTWPGH-UHFFFAOYSA-N

Smiles

CCCCCCCCCCCCCCCCCC[N+](C)(C)CCCNC(=O)CCCCCCCCCCCCCCCCC.Cc1ccc(cc1)S(=O)(=O)[O-]