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Substance Name: Ethanaminium, N-(3-(bis(2-((1-oxooctadecyl)amino)ethyl)amino)propylidyne)-, ethyl sulfate (1:1)
RN: 68189-22-0
InChIKey: HRXITENIGSVCFD-UHFFFAOYSA-N

Molecular Formula

  • C45-H89-N4-O2.C2-H5-O4-S

Molecular Weight

  • 843.348
 
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Names and Synonyms

Synonym

  • EINECS 269-180-8

Systematic Names

  • (3-(Bis(2-((1-oxooctadecyl)amino)ethyl)amino)propylidyne)ethylammonium ethyl sulphate
  • Ethanaminium, N-(3-(bis(2-((1-oxooctadecyl)amino)ethyl)amino)propylidyne)-, ethyl sulfate
  • Ethanaminium, N-(3-(bis(2-((1-oxooctadecyl)amino)ethyl)amino)propylidyne)-, ethyl sulfate (1:1)

Registry Numbers

CAS Registry Number

  • 68189-22-0

System Generated Number

  • 0068189220

Molecular Formulas

Molecular Formula

  • C45-H89-N4-O2.C2-H5-O4-S

Molecular Formula Fragments

  • C2-H5-O4-S
  • C45-H89-N4-O2
  • COMPONENT

Structure Descriptors

InChI

1S/C45H88N4O2.C2H6O4S/c1-4-7-9-11-13-15-17-19-21-23-25-27-29-31-33-36-44(50)47-39-42-49(41-35-38-46-6-3)43-40-48-45(51)37-34-32-30-28-26-24-22-20-18-16-14-12-10-8-5-2;1-2-6-7(3,4)5/h4-37,39-43H2,1-3H3,(H-,47,48,50,51);2H2,1H3,(H,3,4,5)

InChIKey

HRXITENIGSVCFD-UHFFFAOYSA-N

Smiles

[N+](#CCCN(CCNC(=O)CCCCCCCCCCCCCCCCC)CCNC(CCCCCCCCCCCCCCCCC)=O)CC.S(=O)(=O)(OCC)[O-]