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Substance Name: 4,5-Dihydro-1-(2-(hexadecanoylamino)ethyl)-1-methyl-2-pentadecanyl-1H-imidazolium methyl sulfate
RN: 94022-77-2
UNII: 4I33A8X06D
InChIKey: ZWDYOMHYDBEDHD-UHFFFAOYSA-N

Molecular Formula

  • C37-H74-N3-O.C-H3-O4-S

Molecular Weight

  • 688.1083
 
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Names and Synonyms

Name of Substance

  • 4,5-Dihydro-1-(2-(hexadecanoylamino)ethyl)-1-methyl-2-pentadecanyl-1H-imidazolium methyl sulfate

Synonyms

  • EINECS 301-574-8
  • UNII-4I33A8X06D

Systematic Name

  • 4,5-Dihydro-1-methyl-1-(2-((1-oxohexadecyl)amino)ethyl)-2-pentadecyl-1H-imidazolium methyl sulphate

Registry Numbers

CAS Registry Number

  • 94022-77-2

FDA UNII

  • 4I33A8X06D

System Generated Number

  • 0094022772

Molecular Formulas

Molecular Formula

  • C37-H74-N3-O.C-H3-O4-S

Molecular Formula Fragments

  • C-H3-O4-S
  • C37-H74-N3-O
  • COMPONENT

Structure Descriptors

InChI

1S/C37H73N3O.CH4O4S/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-36-38-32-34-40(36,3)35-33-39-37(41)31-29-27-25-23-21-19-17-15-13-11-9-7-5-2;1-5-6(2,3)4/h4-35H2,1-3H3;1H3,(H,2,3,4)

InChIKey

ZWDYOMHYDBEDHD-UHFFFAOYSA-N

Smiles

CCCCCCCCCCCCCCCC(=O)NCC[N+]1(C)CCN=C1CCCCCCCCCCCCCCC.COS(=O)(=O)[O-]