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Substance Name: Ethanaminium, N-(4-((2-chlorophenyl)(4-((2-cyanoethyl)ethylamino)phenyl)methylene)-2,5-cyclohexadien-1-ylidene)-2-cyano-N-ethyl-, chloride (1:1)
RN: 68156-17-2
InChIKey: PHOQDUAOIRSHNL-UHFFFAOYSA-M

Molecular Formula

  • C29-H30-Cl-N4.Cl

Molecular Weight

  • 505.49
 
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Names and Synonyms

Synonyms

  • 6-((2-Chlorophenyl)(4-(N-ethyl-N-beta-cyanoethylamino)phenyl)methylene)-1,4-cyclohexadiene-3-(N-ethyl-N-(beta-cyanoethyl)iminium) chloride
  • EINECS 269-008-1

Systematic Names

  • 4-((2-Chlorophenyl)(4-((2-cyanoethyl)ethylamino)phenyl)methylene)-2,5-cyclohexadien-1-ylidene)(2-cyanoethyl)ethylammonium chloride
  • Ethanaminium, N-(4-((2-chlorophenyl)(4-((2-cyanoethyl)ethylamino)phenyl)methylene)-2,5-cyclohexadien-1-ylidene)-2-cyano-N-ethyl-, chloride
  • Ethanaminium, N-(4-((2-chlorophenyl)(4-((2-cyanoethyl)ethylamino)phenyl)methylene)-2,5-cyclohexadien-1-ylidene)-2-cyano-N-ethyl-, chloride (1:1)

Registry Numbers

CAS Registry Number

  • 68156-17-2

System Generated Number

  • 0068156172

Molecular Formulas

Molecular Formula

  • C29-H30-Cl-N4.Cl

Molecular Formula Fragments

  • C29-H30-Cl-N4
  • Cl
  • COMPONENT

Structure Descriptors

InChI

1S/C29H30ClN4.ClH/c1-3-33(21-7-19-31)25-15-11-23(12-16-25)29(27-9-5-6-10-28(27)30)24-13-17-26(18-14-24)34(4-2)22-8-20-32;/h5-6,9-18H,3-4,7-8,21-22H2,1-2H3;1H/q+1;/p-1

InChIKey

PHOQDUAOIRSHNL-UHFFFAOYSA-M

Smiles

Clc1ccccc1\C(c1ccc(N(CC)CCC#N)cc1)=C1\C=C\C(=[N+](/CC)CCC#N)C=C1.[ClH-]