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Substance Name: 4H-1,2,4-Triazolium, 3-(2-(4-((2-(benzoyloxy)ethyl)ethylamino)phenyl)diazenyl)-1,4-dimethyl-, methyl sulfate (1:1)
RN: 72987-19-0
InChIKey: NDBWUXLRQJCNOC-PGCQSHBKSA-M

Molecular Formula

  • C21-H25-N6-O2.C-H3-O4-S

Molecular Weight

  • 504.5652
 
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Names and Synonyms

Synonym

  • 3-((4-(Ethyl(2-((phenylcarbonyl)oxy)ethyl)amino)phenyl)azo)-1,4-dimethyl-1,2,4-triazolium methyl sulfate

Systematic Names

  • 1H-1,2,4-Triazolium, 3-((4-((2-(benzoyloxy)ethyl)ethylamino)phenyl)azo)-1,4-dimethyl-, methyl sulfate
  • 4H-1,2,4-Triazolium, 3-(2-(4-((2-(benzoyloxy)ethyl)ethylamino)phenyl)diazenyl)-1,4-dimethyl-, methyl sulfate (1:1)

Registry Numbers

CAS Registry Number

  • 72987-19-0

System Generated Number

  • 0072987190

Molecular Formulas

Molecular Formula

  • C21-H25-N6-O2.C-H3-O4-S

Molecular Formula Fragments

  • C-H3-O4-S
  • C21-H25-N6-O2
  • COMPONENT

Structure Descriptors

InChI

1S/C21H25N6O2.CH4O4S/c1-4-27(14-15-29-20(28)17-8-6-5-7-9-17)19-12-10-18(11-13-19)22-23-21-24-26(3)16-25(21)2;1-5-6(2,3)4/h5-13,16H,4,14-15H2,1-3H3;1H3,(H,2,3,4)/q+1;/p-1/b23-22+;

InChIKey

NDBWUXLRQJCNOC-PGCQSHBKSA-M

Smiles

CCN(CCOC(=O)c1ccccc1)c2ccc(cc2)/N=N/c3n[n+](cn3C)C.COS(=O)(=O)[O-]