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

85068-64-0

CAS Name

1H-1,2,4-Triazolium, 1,2-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)20-21-18-19-14-23(2)24(18)3;1-5-6(2,3)4/h4-12,14H,13H2,1-3H3;1H3,(H,2,3,4)/q+1;/p-1

InChIKey

InChIKey=LIRMGYSKOMHODJ-UHFFFAOYSA-M

SMILES

N(=NC1=CC=C(N(CC2=CC=CC=C2)C)C=C1)C3=[N+](C)N(C)C=N3.S(OC)(=O)(=O)[O-]

Canonical SMILES

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

Other Names for this Substance