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Substance Name: 1H-Imidazolium, 1-(2-((2-cyanoethyl)(1-oxodocosyl)amino)ethyl)-1-ethyl-2-heneicosyl-4,5-dihydro-, ethyl sulfate (1:1)
RN: 67874-14-0
InChIKey: LTIHTLLUEAQLBY-UHFFFAOYSA-M

Molecular Formula

  • C53-H103-N4-O.C2-H5-O4-S

Molecular Weight

  • 937.547
 
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Names and Synonyms

Synonym

  • EINECS 267-455-7

Systematic Names

  • 1-(2-((2-Cyanoethyl)(1-oxodocosyl)amino)ethyl)-1-ethyl-2-henicosyl-4,5-dihydro-1H-imidazolium ethyl sulphate
  • 1H-Imidazolium, 1-(2-((2-cyanoethyl)(1-oxodocosyl)amino)ethyl)-1-ethyl-2-heneicosyl-4,5-dihydro-, ethyl sulfate
  • 1H-Imidazolium, 1-(2-((2-cyanoethyl)(1-oxodocosyl)amino)ethyl)-1-ethyl-2-heneicosyl-4,5-dihydro-, ethyl sulfate (1:1)

Registry Numbers

CAS Registry Number

  • 67874-14-0

System Generated Number

  • 0067874140

Molecular Formulas

Molecular Formula

  • C53-H103-N4-O.C2-H5-O4-S

Molecular Formula Fragments

  • C2-H5-O4-S
  • C53-H103-N4-O
  • COMPONENT

Structure Descriptors

InChI

1S/C53H103N4O.C2H6O4S/c1-4-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-44-52-55-47-50-57(52,6-3)51-49-56(48-43-46-54)53(58)45-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-5-2;1-2-6-7(3,4)5/h4-45,47-51H2,1-3H3;2H2,1H3,(H,3,4,5)/q+1;/p-1

InChIKey

LTIHTLLUEAQLBY-UHFFFAOYSA-M

Smiles

C=1([N@@+](CCN(C(=O)CCCCCCCCCCCCCCCCCCCCC)CCC#N)(CCN1)CC)CCCCCCCCCCCCCCCCCCCCC.S(OCC)(=O)(=O)[O-]