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Substance Name: (2-(Acetoxy)ethyl)-3-((2-cyano-3-(4-(diethylamino)phenyl)-1-oxoallyl)oxy)propyldimethylammonium chloride
RN: 93981-89-6
InChIKey: IRMHBQBEUOAISY-DIRYEVLESA-M

Molecular Formula

  • C23-H34-N3-O4.Cl

Molecular Weight

  • 451.9916
 
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Names and Synonyms

Synonym

  • EINECS 301-178-5

Systematic Name

  • (2-(Acetoxy)ethyl)-3-((2-cyano-3-(4-(diethylamino)phenyl)-1-oxoallyl)oxy)propyldimethylammonium chloride

Registry Numbers

CAS Registry Number

  • 93981-89-6

System Generated Number

  • 0093981896

Molecular Formulas

Molecular Formula

  • C23-H34-N3-O4.Cl

Molecular Formula Fragments

  • C23-H34-N3-O4
  • Cl
  • COMPONENT

Structure Descriptors

InChI

1S/C23H34N3O4.ClH/c1-6-25(7-2)22-11-9-20(10-12-22)17-21(18-24)23(28)30-15-8-13-26(4,5)14-16-29-19(3)27;/h9-12,17H,6-8,13-16H2,1-5H3;1H/q+1;/p-1/b21-17+;

InChIKey

IRMHBQBEUOAISY-DIRYEVLESA-M

Smiles

CCN(CC)c1ccc(cc1)/C=C(\C#N)/C(=O)OCCC[N+](C)(C)CCOC(=O)C.[Cl-]