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Substance Name: Ethanaminium, N-(2-hydroxyethyl)-N-(2-((2-hydroxyethyl)(1-oxohexadecyl)amino)ethyl)-2-((2-hydroxyethyl)(2-((1-oxohexadecyl)oxy)ethyl)amino)-N-methyl-, methyl sulfate (1:1)
RN: 65060-08-4
InChIKey: CMJLIUNBUANLQU-UHFFFAOYSA-M

Molecular Formula

  • C45-H92-N3-O6.C-H3-O4-S

Molecular Weight

  • 882.333
 
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Names and Synonyms

Synonym

  • EINECS 265-355-8

Systematic Names

  • (2-Hydroxyethyl)(2-((2-hydroxyethyl)(palmitoyl)amino)ethyl)(2-((2-hydroxyethyl)(2-(palmitoyloxy)ethyl)amino)ethyl)methylammonium methyl sulphate
  • Ethanaminium, N-(2-hydroxyethyl)-N-(2-((2-hydroxyethyl)(1-oxohexadecyl)amino)ethyl)-2-((2-hydroxyethyl)(2-((1-oxohexadecyl)oxy)ethyl)amino)-N-methyl-, methyl sulfate (1:1)
  • Ethanaminium, N-(2-hydroxyethyl)-N-(2-((2-hydroxyethyl)(1-oxohexadecyl)amino)ethyl)-2-((2-hydroxyethyl)(2-((1-oxohexadecyl)oxy)ethyl)amino)-N-methyl-, methyl sulfate (salt)

Registry Numbers

CAS Registry Number

  • 65060-08-4

System Generated Number

  • 0065060084

Molecular Formulas

Molecular Formula

  • C45-H92-N3-O6.C-H3-O4-S

Molecular Formula Fragments

  • C-H3-O4-S
  • C45-H92-N3-O6
  • COMPONENT

Structure Descriptors

InChI

1S/C45H92N3O6.CH4O4S/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-44(52)47(35-41-50)33-38-48(3,39-42-51)37-32-46(34-40-49)36-43-54-45(53)31-29-27-25-23-21-19-17-15-13-11-9-7-5-2;1-5-6(2,3)4/h49-51H,4-43H2,1-3H3;1H3,(H,2,3,4)/q+1;/p-1

InChIKey

CMJLIUNBUANLQU-UHFFFAOYSA-M

Smiles

CCCCCCCCCCCCCCCC(=O)OCC[N@@](CCO)CC[N@@+](C)(CCO)CCN(CCO)C(=O)CCCCCCCCCCCCCCC.S([O-])(=O)(=O)OC