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Substance Name: 1-(2-((beta-Cyano-4-(diethylamino)cinnamoyl)oxy)ethyl)-1-methyl-1H-imidazolium toluene-p-sulphonate
RN: 94087-12-4
InChIKey: WDUGHFIWKOUANY-LSJACRKWSA-M

Molecular Formula

  • C20-H25-N4-O2.C7-H7-O3-S

Molecular Weight

  • 524.6388
 
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Names and Synonyms

Synonym

  • EINECS 301-905-6

Systematic Name

  • 1-(2-((beta-Cyano-4-(diethylamino)cinnamoyl)oxy)ethyl)-1-methyl-1H-imidazolium toluene-p-sulphonate

Registry Numbers

CAS Registry Number

  • 94087-12-4

System Generated Number

  • 0094087124

Molecular Formulas

Molecular Formula

  • C20-H25-N4-O2.C7-H7-O3-S

Molecular Formula Fragments

  • C20-H25-N4-O2
  • C7-H7-O3-S
  • COMPONENT

Structure Descriptors

InChI

1S/C20H25N4O2.C7H8O3S/c1-4-23(5-2)19-8-6-17(7-9-19)18(15-21)14-20(25)26-13-12-24(3)11-10-22-16-24;1-6-2-4-7(5-3-6)11(8,9)10/h6-11,14,16H,4-5,12-13H2,1-3H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1/b18-14+;

InChIKey

WDUGHFIWKOUANY-LSJACRKWSA-M

Smiles

S(=O)(=O)(c1ccc(cc1)C)[O-].[N+]1(C=NC=C1)(CCOC(=O)/C=C(\C#N)c1ccc(N(CC)CC)cc1)C