4-[(1,4-dimethyl-1,2,4-triazol-4-ium-3-yl)diazenyl]-N-methyl-N-(phenylmethyl)aniline ethanoate

Systemtic Name: 4-[(1,4-dimethyl-1,2,4-triazol-4-ium-3-yl)diazenyl]-N-methyl-N-(phenylmethyl)aniline ethanoate Openeye Name: N-benzyl-4-[(1,4-dimethyl-1,2,4-triazol-4-ium-3-yl)azo]-N-methyl-aniline acetate CAS Name: 4-[(1,4-dimethyl-1,2,4-triazol-4-ium-3-yl)azo]-N-methyl-N-(phenylmethyl)aniline acetate IUPAC Name: N-benzyl-4-[(1,4-dimethyl-1,2,4-triazol-4-ium-3-yl)diazenyl]-N-methylaniline acetate Traditional Name: benzyl-[4-[(1,4-dimethyl-1,2,4-triazol-4-ium-3-yl)azo]phenyl]-methyl-amine acetate Formula: C20H24N6O2 MolecularWeight: 380.44356

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)[O-].CN1C=[N+](C(=N1)N=NC2=CC=C(C=C2)N(C)CC3=CC=CC=C3)C

Isomeric SMILES

CC(=O)[O-].CN1C=[N+](C(=N1)N=NC2=CC=C(C=C2)N(C)CC3=CC=CC=C3)C

InChI

InChI=1S/C18H21N6.C2H4O2/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;1-2(3)4/h4-12,14H,13H2,1-3H3;1H3,(H,3,4)/q+1;/p-1