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Substance Name: Ethanaminium, N-(2-hydroxyethyl)-N-(2-((2-hydroxyethyl)(2-((2-hydroxyethyl)(2-((1-oxooctadecyl)oxy)ethyl)amino)ethyl)amino)ethyl)-2-((2-hydroxyethyl)(1-oxooctadecyl)amino)-N-methyl-, methyl sulfate (1:1)
RN: 65060-04-0
InChIKey: JONIBJFAOKEPOT-UHFFFAOYSA-M

Molecular Formula

  • C53-H109-N4-O7.C-H3-O4-S

Molecular Weight

  • 1025.56
 
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Names and Synonyms

Synonym

  • EINECS 265-353-7

Systematic Names

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

Registry Numbers

CAS Registry Number

  • 65060-04-0

System Generated Number

  • 0065060040

Molecular Formulas

Molecular Formula

  • C53-H109-N4-O7.C-H3-O4-S

Molecular Formula Fragments

  • C-H3-O4-S
  • C53-H109-N4-O7
  • COMPONENT

Structure Descriptors

InChI

1S/C53H109N4O7.CH4O4S/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-52(62)56(42-49-60)39-45-57(3,46-50-61)44-38-54(40-47-58)36-37-55(41-48-59)43-51-64-53(63)35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-2;1-5-6(2,3)4/h58-61H,4-51H2,1-3H3;1H3,(H,2,3,4)/q+1;/p-1

InChIKey

JONIBJFAOKEPOT-UHFFFAOYSA-M

Smiles

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