1H-1,2,4-Triazolium, 1,4-dimethyl-3-[[4-[methyl(phenylmethyl)amino]phenyl]azo]-, methyl sulfate

84000-80-6

CAS Name

4H-1,2,4-Triazolium, 1,4-dimethyl-3-[2-[4-[methyl(phenylmethyl)amino]phenyl]diazenyl]-, methyl sulfate (1:1)

Molecular Formula

C₁₈H₂₁N₆.CH₃O₄S

Other Names and Identifiers

InChI

InChI=1S/C18H21N6.CH4O4S/c1-22(13-15-7-5-4-6-8-15)17-11-9-16(10-12-17)19-20-18-21-24(3)14-23(18)2;1-5-6(2,3)4/h4-12,14H,13H2,1-3H3;1H3,(H,2,3,4)/q+1;/p-1

InChIKey

InChIKey=ZMMZSBLNZPKANM-UHFFFAOYSA-M

SMILES

N(=NC1=CC=C(N(CC2=CC=CC=C2)C)C=C1)C=3[N+](C)=CN(C)N3.S(OC)(=O)(=O)[O-]

Canonical SMILES

O=S(=O)([O-])OC.N(=NC1=NN(C=[N+]1C)C)C2=CC=C(C=C2)N(C)CC=3C=CC=CC3

Other Names for this Substance