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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21N6.C2H4O2/c1-22(13-15-7-5-4-6-8-15)17-11-9-16(10-12-17)20-21-18-23(2)14-19-24(18)3;1-2(3)4/h4-12,14H,13H2,1-3H3;1H3,(H,3,4)/q+1;/p-1