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Substance Name: 2-(8-Heptadecenyl)-4,5-dihydro-1-methyl-1-(2-((1-oxo-9-octadecenyl)amino)ethyl)-1H-imidazolium methyl sulphate
RN: 94006-22-1
InChIKey: ASOLQNQTXIEOPJ-RRCQUFFISA-N

Molecular Formula

  • C41-H78-N3-O.C-H3-O4-S

Molecular Weight

  • 740.1839
 
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Names and Synonyms

Synonym

  • EINECS 301-358-3

Systematic Name

  • 2-(8-Heptadecenyl)-4,5-dihydro-1-methyl-1-(2-((1-oxo-9-octadecenyl)amino)ethyl)-1H-imidazolium methyl sulphate

Registry Numbers

CAS Registry Number

  • 94006-22-1

System Generated Number

  • 0094006221

Molecular Formulas

Molecular Formula

  • C41-H78-N3-O.C-H3-O4-S

Molecular Formula Fragments

  • C-H3-O4-S
  • C41-H78-N3-O
  • COMPONENT

Structure Descriptors

InChI

1S/C41H77N3O.CH4O4S/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-40-42-36-38-44(40,3)39-37-43-41(45)35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-2;1-5-6(2,3)4/h18-21H,4-17,22-39H2,1-3H3;1H3,(H,2,3,4)/b20-18+,21-19+;

InChIKey

ASOLQNQTXIEOPJ-RRCQUFFISA-N

Smiles

CCCCCCCC/C=C/CCCCCCCC1=NCC[N+]1(C)CCNC(=O)CCCCCCC/C=C/CCCCCCCC.COS(=O)(=O)[O-]