Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: 1H-Imidazolium, 1-ethyl-2-(8-heptadecen-1-yl)-4,5-dihydro-3-(2-(((9Z)-1-oxo-9-octadecen-1-yl)amino)ethyl)-, ethyl sulfate (1:1)
RN: 68016-01-3
InChIKey: AJBCIHJGROETBA-ULQNKYRSSA-N

Molecular Formula

  • C42-H80-N3-O.C2-H5-O4-S

Molecular Weight

  • 768.237
 
* denotes mobile formatted website

Links to Resources

NLM Resources (File Locators)

Other Resources (Internet Locators)


Search for this InChIKey on the Web

Names and Synonyms

Synonyms

  • 1-(2-Oleamidoethyl)-2-(8-heptadecenyl)-3-ethylimidazolinium, ethosulfate
  • EINECS 268-166-9

Systematic Names

  • (Z,)-1-Ethyl-2-(8-heptadecenyl)-4,5-dihydro-3-(2-((1-oxo-9-octadecenyl)amino)ethyl)-1H-imidazolium ethyl sulphate
  • 1H-Imidazolium, 1-ethyl-2-(8-heptadecen-1-yl)-4,5-dihydro-3-(2-(((9Z)-1-oxo-9-octadecen-1-yl)amino)ethyl)-, ethyl sulfate (1:1)
  • 1H-Imidazolium, 1-ethyl-2-(8-heptadecenyl)-4,5-dihydro-3-(2-(((9Z)-1-oxo-9-octadecenyl)amino)ethyl)-, ethyl sulfate

Registry Numbers

CAS Registry Number

  • 68016-01-3

System Generated Number

  • 0068016013

Molecular Formulas

Molecular Formula

  • C42-H80-N3-O.C2-H5-O4-S

Molecular Formula Fragments

  • C2-H5-O4-S
  • C42-H80-N3-O
  • COMPONENT

Structure Descriptors

InChI

1S/C42H79N3O.C2H6O4S/c1-4-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-41(46)43-37-38-45-40-39-44(6-3)42(45)36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-5-2;1-2-6-7(3,4)5/h19-22H,4-18,23-40H2,1-3H3;2H2,1H3,(H,3,4,5)/b21-19+,22-20+;

InChIKey

AJBCIHJGROETBA-ULQNKYRSSA-N

Smiles

[N+]1(=C(N(CC1)CC)CCCCCCC\C=C\CCCCCCCC)CCNC(=O)CCCCCCC\C=C\CCCCCCCC.S(OCC)(=O)(=O)[O-]