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Substance Name: 4,5-Dihydro-2-isoheptadecyl-1-methyl-1-(3-((1-oxoisooctadecyl)amino)propyl)-1H-imidazolium methyl sulphate
RN: 94022-90-9
InChIKey: UJIVRYCDGZDXLV-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 301-585-8

Systematic Name

  • 4,5-Dihydro-2-isoheptadecyl-1-methyl-1-(3-((1-oxoisooctadecyl)amino)propyl)-1H-imidazolium methyl sulphate

Registry Numbers

CAS Registry Number

  • 94022-90-9

System Generated Number

  • 0094022909

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/c1-39(2)31-26-22-18-14-10-6-8-12-16-20-24-28-33-41-43-36-38-45(41,5)37-30-35-44-42(46)34-29-25-21-17-13-9-7-11-15-19-23-27-32-40(3)4;1-5-6(2,3)4/h39-40H,6-38H2,1-5H3;1H3,(H,2,3,4)

InChIKey

UJIVRYCDGZDXLV-UHFFFAOYSA-N

Smiles

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