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Substance Name: 2-Heptadecyl-4,5-dihydro-1-methyl-1-(3-((1-oxooctadecyl)amino)propyl)-1-H-imidazolium methyl sulphate
RN: 94022-79-4
InChIKey: MWKYIBACLFRTJC-UHFFFAOYSA-N

Molecular Formula

  • C42-H84-N3-O.C-H3-O4-S

Molecular Weight

  • 758.2423
 
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Names and Synonyms

Synonym

  • EINECS 301-575-3

Systematic Name

  • 2-Heptadecyl-4,5-dihydro-1-methyl-1-(3-((1-oxooctadecyl)amino)propyl)-1-H-imidazolium methyl sulphate

Registry Numbers

CAS Registry Number

  • 94022-79-4

System Generated Number

  • 0094022794

Molecular Formulas

Molecular Formula

  • C42-H84-N3-O.C-H3-O4-S

Molecular Formula Fragments

  • C-H3-O4-S
  • C42-H84-N3-O
  • COMPONENT

Structure Descriptors

InChI

1S/C42H83N3O.CH4O4S/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-35-41-43-38-40-45(41,3)39-34-37-44-42(46)36-33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-2;1-5-6(2,3)4/h4-40H2,1-3H3;1H3,(H,2,3,4)

InChIKey

MWKYIBACLFRTJC-UHFFFAOYSA-N

Smiles

S(=O)(=O)([O-])OC.[N+]1(C(=NCC1)CCCCCCCCCCCCCCCCC)(CCCNC(=O)CCCCCCCCCCCCCCCCC)C