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Substance Name: Ethanaminium, N-(2-hydroxyethyl)-N-(2-((2-hydroxyethyl)(1-oxohexadecyl)amino)ethyl)-N-methyl-2-((1-oxohexadecyl)oxy)-, methyl sulfate (1:1)
RN: 65060-06-2
InChIKey: VZESCPLYZMTHBN-UHFFFAOYSA-M

Molecular Formula

  • C41-H83-N2-O5.C-H3-O4-S

Molecular Weight

  • 795.212
 
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Names and Synonyms

Synonym

  • EINECS 265-354-2

Systematic Names

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

Registry Numbers

CAS Registry Number

  • 65060-06-2

System Generated Number

  • 0065060062

Molecular Formulas

Molecular Formula

  • C41-H83-N2-O5.C-H3-O4-S

Molecular Formula Fragments

  • C-H3-O4-S
  • C41-H83-N2-O5
  • COMPONENT

Structure Descriptors

InChI

1S/C41H83N2O5.CH4O4S/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-40(46)42(33-37-44)32-34-43(3,35-38-45)36-39-48-41(47)31-29-27-25-23-21-19-17-15-13-11-9-7-5-2;1-5-6(2,3)4/h44-45H,4-39H2,1-3H3;1H3,(H,2,3,4)/q+1;/p-1

InChIKey

VZESCPLYZMTHBN-UHFFFAOYSA-M

Smiles

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