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Substance Name: Ethanaminium, N-(2-hydroxyethyl)-2-((2-hydroxyethyl)(1-oxooctadecyl)amino)-N-(2-((2-hydroxyethyl)(2-((1-oxooctadecyl)oxy)ethyl)amino)ethyl)-N-methyl-, methyl sulfate (1:1)
RN: 64346-67-4
InChIKey: JOEYVTUZTKUBSR-UHFFFAOYSA-M

Molecular Formula

  • C49-H100-N3-O6.C-H3-O4-S

Molecular Weight

  • 938.441
 
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Names and Synonyms

Synonym

  • EINECS 264-811-3

Systematic Names

  • (2-Hydroxyethyl)(2-((2-hydroxyethyl)(stearoyl)amino)ethyl)-(2-((2-hydroxyethyl)(2-(stearoyloxy)ethyl)amino)ethyl)methylammonium methyl sulphate
  • Ethanaminium, N-(2-hydroxyethyl)-2-((2-hydroxyethyl)(1-oxooctadecyl)amino)-N-(2-((2-hydroxyethyl)(2-((1-oxooctadecyl)oxy)ethyl)amino)ethyl)-N-methyl-, methyl sulfate (1:1)
  • Ethanaminium, N-(2-hydroxyethyl)-2-((2-hydroxyethyl)(1-oxooctadecyl)amino)-N-(2-((2-hydroxyethyl)(2-((1-oxooctadecyl)oxy)ethyl)amino)ethyl)-N-methyl-, methyl sulfate (salt)

Registry Numbers

CAS Registry Number

  • 64346-67-4

System Generated Number

  • 0064346674

Molecular Formulas

Molecular Formula

  • C49-H100-N3-O6.C-H3-O4-S

Molecular Formula Fragments

  • C-H3-O4-S
  • C49-H100-N3-O6
  • COMPONENT

Structure Descriptors

InChI

1S/C49H100N3O6.CH4O4S/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-48(56)51(39-45-54)37-42-52(3,43-46-55)41-36-50(38-44-53)40-47-58-49(57)35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-2;1-5-6(2,3)4/h53-55H,4-47H2,1-3H3;1H3,(H,2,3,4)/q+1;/p-1

InChIKey

JOEYVTUZTKUBSR-UHFFFAOYSA-M

Smiles

C(CN(C(CCCCCCCCCCCCCCCCC)=O)CCO)[N@@+](CC[N@@](CCOC(=O)CCCCCCCCCCCCCCCCC)CCO)(CCO)C.COS([O-])(=O)=O