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Substance Name: 1H-Imidazolium, 1-(2-((2-cyanoethyl)(1-oxodocosyl)amino)ethyl)-2-heneicosyl-4,5-dihydro-1-methyl-, methyl sulfate (1:1)
RN: 67874-08-2
InChIKey: SQPZYUKONLXBGY-UHFFFAOYSA-N

Molecular Formula

  • C52-H101-N4-O.C-H3-O4-S

Molecular Weight

  • 911.509
 
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Names and Synonyms

Synonym

  • EINECS 267-452-0

Systematic Names

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

Registry Numbers

CAS Registry Number

  • 67874-08-2

System Generated Number

  • 0067874082

Molecular Formulas

Molecular Formula

  • C52-H101-N4-O.C-H3-O4-S

Molecular Formula Fragments

  • C-H3-O4-S
  • C52-H101-N4-O
  • COMPONENT

Structure Descriptors

InChI

1S/C52H101N4O.CH4O4S/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-40-43-51-54-46-49-56(51,3)50-48-55(47-42-45-53)52(57)44-41-39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-2;1-5-6(2,3)4/h4-44,46-50H2,1-3H3;1H3,(H,2,3,4)

InChIKey

SQPZYUKONLXBGY-UHFFFAOYSA-N

Smiles

C1(CCCCCCCCCCCCCCCCCCCCC)=[N+]CC[N@@]1(CCN(C(CCCCCCCCCCCCCCCCCCCCC)=O)CCC#N)C.S(=O)(=O)(OC)[O-]