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

Systemtic Name: 4-[(1,4-dimethyl-1,5-dihydro-1,2,4-triazol-1-ium-5-yl)diazenyl]-N-methyl-N-(phenylmethyl)aniline bromide Openeye Name: N-benzyl-4-[(1,4-dimethyl-1,5-dihydro-1,2,4-triazol-1-ium-5-yl)azo]-N-methyl-aniline bromide CAS Name: 4-[(1,4-dimethyl-1,5-dihydro-1,2,4-triazol-1-ium-5-yl)azo]-N-methyl-N-(phenylmethyl)aniline bromide IUPAC Name: N-benzyl-4-[(1,4-dimethyl-1,5-dihydro-1,2,4-triazol-1-ium-5-yl)diazenyl]-N-methylaniline bromide Traditional Name: benzyl-[4-[(1,4-dimethyl-1,5-dihydro-1,2,4-triazol-1-ium-5-yl)azo]phenyl]-methyl-amine bromide Formula: C18H23BrN6 MolecularWeight: 403.31942

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1C(N(C=N1)C)N=NC2=CC=C(C=C2)N(C)CC3=CC=CC=C3.[Br-]

Isomeric SMILES

C[NH+]1C(N(C=N1)C)N=NC2=CC=C(C=C2)N(C)CC3=CC=CC=C3.[Br-]

InChI

InChI=1S/C18H22N6.BrH/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;/h4-12,14,18H,13H2,1-3H3;1H