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Substance Name: Ethanaminium, N-(2-hydroxyethyl)-N-(2-((2-hydroxyethyl)(1-oxooctadecyl)amino)ethyl)-N-methyl-2-((1-oxooctadecyl)oxy)-, methyl sulfate (1:1)
RN: 13441-22-0
InChIKey: LWMWHBRMDHVVHW-UHFFFAOYSA-M

Molecular Formula

  • C45-H91-N2-O5.C-H3-O4-S

Molecular Weight

  • 851.32
 
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Names and Synonyms

Synonym

  • EINECS 236-579-3

Systematic Names

  • Bis(2-hydroxyethyl)(2-(N-(2-hydroxyethyl)stearoylamino)ethyl)methylammonium methyl sulphate, stearate
  • Ethanaminium, N-(2-hydroxyethyl)-N-(2-((2-hydroxyethyl)(1-oxooctadecyl)amino)ethyl)-N-methyl-2-((1-oxooctadecyl)oxy)-, methyl sulfate (1:1)
  • Ethanaminium, N-(2-hydroxyethyl)-N-(2-((2-hydroxyethyl)(1-oxooctadecyl)amino)ethyl)-N-methyl-2-((1-oxooctadecyl)oxy)-, methyl sulfate (salt)

Registry Numbers

CAS Registry Number

  • 13441-22-0

System Generated Number

  • 0013441220

Molecular Formulas

Molecular Formula

  • C45-H91-N2-O5.C-H3-O4-S

Molecular Formula Fragments

  • C-H3-O4-S
  • C45-H91-N2-O5
  • COMPONENT

Structure Descriptors

InChI

1S/C45H91N2O5.CH4O4S/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-44(50)46(37-41-48)36-38-47(3,39-42-49)40-43-52-45(51)35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-2;1-5-6(2,3)4/h48-49H,4-43H2,1-3H3;1H3,(H,2,3,4)/q+1;/p-1

InChIKey

LWMWHBRMDHVVHW-UHFFFAOYSA-M

Smiles

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