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Substance Name: Hexadecyldimethyl(3-(stearoylamino)propyl)ammonium toluene-p-sulphonate
RN: 87616-36-2
InChIKey: HNRNSEHDIZRHCT-UHFFFAOYSA-N

Molecular Formula

  • C39-H81-N2-O.C7-H7-O3-S

Molecular Weight

  • 765.2772
 
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Names and Synonyms

Synonym

  • EINECS 289-325-9

Systematic Names

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

Registry Numbers

CAS Registry Number

  • 87616-36-2

System Generated Number

  • 0087616362

Molecular Formulas

Molecular Formula

  • C39-H81-N2-O.C7-H7-O3-S

Molecular Formula Fragments

  • C39-H81-N2-O
  • C7-H7-O3-S
  • COMPONENT

Structure Descriptors

InChI

1S/C39H80N2O.C7H8O3S/c1-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-35-39(42)40-36-34-38-41(3,4)37-33-31-29-27-25-23-20-18-16-14-12-10-8-6-2;1-6-2-4-7(5-3-6)11(8,9)10/h5-38H2,1-4H3;2-5H,1H3,(H,8,9,10)

InChIKey

HNRNSEHDIZRHCT-UHFFFAOYSA-N

Smiles

S(=O)(=O)(c1ccc(cc1)C)[O-].C(CCCCCCCCCCCCCC[N+](CCCNC(=O)CCCCCCCCCCCCCCCCC)(C)C)C