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Substance Name: Ethanaminium, 2-cyano-N-ethyl-N,N-bis(2-(((9Z)-1-oxo-9-octadecen-1-yl)amino)ethyl)-, ethyl sulfate (1:1)
RN: 67633-80-1
InChIKey: WBKOLJHEDZGXGU-ULQNKYRSSA-N

Molecular Formula

  • C45-H85-N4-O2.C2-H5-O4-S

Molecular Weight

  • 839.316
 
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Names and Synonyms

Synonym

  • N,N-Dioleylamidoethyl-N-cyanoethyl-N-ethylammonium ethosulfate

Systematic Names

  • Ethanaminium, 2-cyano-N-ethyl-N,N-bis(2-(((9Z)-1-oxo-9-octadecen-1-yl)amino)ethyl)-, ethyl sulfate (1:1)
  • Ethanaminium, 2-cyano-N-ethyl-N,N-bis(2-(((9Z)-1-oxo-9-octadecenyl)amino)ethyl)-, ethyl sulfate

Registry Numbers

CAS Registry Number

  • 67633-80-1

System Generated Number

  • 0067633801

Molecular Formulas

Molecular Formula

  • C45-H85-N4-O2.C2-H5-O4-S

Molecular Formula Fragments

  • C2-H5-O4-S
  • C45-H85-N4-O2
  • COMPONENT

Structure Descriptors

InChI

1S/C45H84N4O2.C2H6O4S/c1-4-7-9-11-13-15-17-19-21-23-25-27-29-31-33-36-44(50)47-39-42-49(6-3,41-35-38-46)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/h19-22H,4-18,23-37,39-43H2,1-3H3,(H-,47,48,50,51);2H2,1H3,(H,3,4,5)/b21-19+,22-20+;

InChIKey

WBKOLJHEDZGXGU-ULQNKYRSSA-N

Smiles

CCCCCCCC\C=C\CCCCCCCC(=O)NCC[N+](CC)(CCC#N)CCNC(=O)CCCCCCC\C=C\CCCCCCCC.S(OCC)(=O)(=O)[O-]