4-[(1,4-dimethyl-1,5-dihydro-1,2,4-triazol-1-ium-5-yl)diazenyl]-N-ethyl-N-(phenylmethyl)aniline ethanoate

Systemtic Name: 4-[(1,4-dimethyl-1,5-dihydro-1,2,4-triazol-1-ium-5-yl)diazenyl]-N-ethyl-N-(phenylmethyl)aniline ethanoate Openeye Name: N-benzyl-4-[(1,4-dimethyl-1,5-dihydro-1,2,4-triazol-1-ium-5-yl)azo]-N-ethyl-aniline acetate CAS Name: 4-[(1,4-dimethyl-1,5-dihydro-1,2,4-triazol-1-ium-5-yl)azo]-N-ethyl-N-(phenylmethyl)aniline acetate IUPAC Name: N-benzyl-4-[(1,4-dimethyl-1,5-dihydro-1,2,4-triazol-1-ium-5-yl)diazenyl]-N-ethylaniline acetate Traditional Name: benzyl-[4-[(1,4-dimethyl-1,5-dihydro-1,2,4-triazol-1-ium-5-yl)azo]phenyl]-ethyl-amine acetate Formula: C21H28N6O2 MolecularWeight: 396.48602

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CC=CC=C1)C2=CC=C(C=C2)N=NC3[NH+](N=CN3C)C.CC(=O)[O-]

Isomeric SMILES

CCN(CC1=CC=CC=C1)C2=CC=C(C=C2)N=NC3[NH+](N=CN3C)C.CC(=O)[O-]

InChI

InChI=1S/C19H24N6.C2H4O2/c1-4-25(14-16-8-6-5-7-9-16)18-12-10-17(11-13-18)21-22-19-23(2)15-20-24(19)3;1-2(3)4/h5-13,15,19H,4,14H2,1-3H3;1H3,(H,3,4)