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Substance Name: 1H-Imidazolium, 1-(2-((2-cyanoethyl)(1-oxooctadecyl)amino)ethyl)-2-heptadecyl-4,5-dihydro-1-methyl-, methyl sulfate (1:1)
RN: 67874-18-4
InChIKey: JRNQTQQWVNRAFK-UHFFFAOYSA-M

Molecular Formula

  • C44-H85-N4-O.C-H3-O4-S

Molecular Weight

  • 797.279
 
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Names and Synonyms

Synonym

  • EINECS 267-457-8

Systematic Names

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

Registry Numbers

CAS Registry Number

  • 67874-18-4

System Generated Number

  • 0067874184

Molecular Formulas

Molecular Formula

  • C44-H85-N4-O.C-H3-O4-S

Molecular Formula Fragments

  • C-H3-O4-S
  • C44-H85-N4-O
  • COMPONENT

Structure Descriptors

InChI

1S/C44H85N4O.CH4O4S/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-35-43-46-38-41-48(43,3)42-40-47(39-34-37-45)44(49)36-33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-2;1-5-6(2,3)4/h4-36,38-42H2,1-3H3;1H3,(H,2,3,4)/q+1;/p-1

InChIKey

JRNQTQQWVNRAFK-UHFFFAOYSA-M

Smiles

S(=O)(=O)(OC)[O-].N1=C([N@@+](CC1)(C)CCN(C(CCCCCCCCCCCCCCCCC)=O)CCC#N)CCCCCCCCCCCCCCCCC