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Substance Name: Ethanaminium, N-(2-cyanoethyl)-N-ethyl-N-(2-hydroxyethyl)-2-((1-oxodocosyl)amino)-, ethyl sulfate (1:1)
RN: 67633-71-0
InChIKey: KOPZFHKWOLUJHR-UHFFFAOYSA-N

Molecular Formula

  • C31-H62-N3-O2.C2-H5-O4-S

Molecular Weight

  • 633.973
 
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Names and Synonyms

Synonym

  • N-Behenamidoethyl-N-cyanoethyl-N-ethyl-N-ethanol ammonium ethosulfate

Systematic Names

  • Ethanaminium, N-(2-cyanoethyl)-N-ethyl-N-(2-hydroxyethyl)-2-((1-oxodocosyl)amino)-, ethyl sulfate (1:1)
  • Ethanaminium, N-(2-cyanoethyl)-N-ethyl-N-(2-hydroxyethyl)-2-((1-oxodocosyl)amino)-, ethyl sulfate (salt)

Registry Numbers

CAS Registry Number

  • 67633-71-0

System Generated Number

  • 0067633710

Molecular Formulas

Molecular Formula

  • C31-H62-N3-O2.C2-H5-O4-S

Molecular Formula Fragments

  • C2-H5-O4-S
  • C31-H62-N3-O2
  • COMPONENT

Structure Descriptors

InChI

1S/C31H61N3O2.C2H6O4S/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-24-31(36)33-26-28-34(4-2,29-30-35)27-23-25-32;1-2-6-7(3,4)5/h35H,3-24,26-30H2,1-2H3;2H2,1H3,(H,3,4,5)

InChIKey

KOPZFHKWOLUJHR-UHFFFAOYSA-N

Smiles

N#CCC[N@@+](CC)(CCO)CCNC(=O)CCCCCCCCCCCCCCCCCCCCC.S(OCC)(=O)(=O)[O-]