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Substance Name: Ethanaminium, N-(2-hydroxyethyl)-N-(2-((2-hydroxyethyl)(2-((2-hydroxyethyl)(2-((1-oxohexadecyl)oxy)ethyl)amino)ethyl)amino)ethyl)-2-((2-hydroxyethyl)(1-oxohexadecyl)amino)-N-methyl-, methyl sulfate (1:1)
RN: 64346-65-2
InChIKey: YHHVHQUFMDUZAJ-UHFFFAOYSA-M

Molecular Formula

  • C49-H101-N4-O7.C-H3-O4-S

Molecular Weight

  • 969.4546
 
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Names and Synonyms

Synonym

  • EINECS 264-810-8

Systematic Names

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

Registry Numbers

CAS Registry Number

  • 64346-65-2

System Generated Number

  • 0064346652

Molecular Formulas

Molecular Formula

  • C49-H101-N4-O7.C-H3-O4-S

Molecular Formula Fragments

  • C-H3-O4-S
  • C49-H101-N4-O7
  • COMPONENT

Structure Descriptors

InChI

1S/C49H101N4O7.CH4O4S/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-48(58)52(38-45-56)35-41-53(3,42-46-57)40-34-50(36-43-54)32-33-51(37-44-55)39-47-60-49(59)31-29-27-25-23-21-19-17-15-13-11-9-7-5-2;1-5-6(2,3)4/h54-57H,4-47H2,1-3H3;1H3,(H,2,3,4)/q+1;/p-1

InChIKey

YHHVHQUFMDUZAJ-UHFFFAOYSA-M

Smiles

CCCCCCCCCCCCCCCC(=O)N(CC[N+](C)(CCN(CCN(CCO)CCOC(=O)CCCCCCCCCCCCCCC)CCO)CCO)CCO.COS(=O)(=O)[O-]