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Substance Name: 4,5-Dihydro-1-methyl-1-(3-((1-oxotetradecyl)amino)propyl)-2-tridecyl-1H-imidazolium methyl sulphate
RN: 93966-56-4
InChIKey: MBFBWPDVJGSJNH-UHFFFAOYSA-N

Molecular Formula

  • C34-H68-N3-O.C-H3-O4-S

Molecular Weight

  • 646.0279
 
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Names and Synonyms

Synonym

  • EINECS 301-007-4

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 93966-56-4

System Generated Number

  • 0093966564

Molecular Formulas

Molecular Formula

  • C34-H68-N3-O.C-H3-O4-S

Molecular Formula Fragments

  • C-H3-O4-S
  • C34-H68-N3-O
  • COMPONENT

Structure Descriptors

InChI

1S/C34H67N3O.CH4O4S/c1-4-6-8-10-12-14-16-18-20-22-24-27-33-35-30-32-37(33,3)31-26-29-36-34(38)28-25-23-21-19-17-15-13-11-9-7-5-2;1-5-6(2,3)4/h4-32H2,1-3H3;1H3,(H,2,3,4)

InChIKey

MBFBWPDVJGSJNH-UHFFFAOYSA-N

Smiles

CCCCCCCCCCCCCC1=NCC[N+]1(C)CCCNC(=O)CCCCCCCCCCCCC.COS(=O)(=O)[O-]