2-(4-azanyl-3,5-dimethyl-1,2,4-triazol-4-ium-1-yl)-1-(4-methylphenyl)ethanone bromide

Systemtic Name: 2-(4-azanyl-3,5-dimethyl-1,2,4-triazol-4-ium-1-yl)-1-(4-methylphenyl)ethanone bromide Openeye Name: 2-(4-amino-3,5-dimethyl-1,2,4-triazol-4-ium-1-yl)-1-(p-tolyl)ethanone bromide CAS Name: 2-(4-amino-3,5-dimethyl-1,2,4-triazol-4-ium-1-yl)-1-(4-methylphenyl)ethanone bromide IUPAC Name: 2-(4-amino-3,5-dimethyl-1,2,4-triazol-4-ium-1-yl)-1-(4-methylphenyl)ethanone bromide Traditional Name: 2-(4-amino-3,5-dimethyl-1,2,4-triazol-4-ium-1-yl)-1-(p-tolyl)ethanone bromide Formula: C13H17BrN4O MolecularWeight: 325.20428

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)CN2C(=[N+](C(=N2)C)N)C.[Br-]

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)CN2C(=[N+](C(=N2)C)N)C.[Br-]

InChI

InChI=1S/C13H17N4O.BrH/c1-9-4-6-12(7-5-9)13(18)8-16-11(3)17(14)10(2)15-16;/h4-7H,8,14H2,1-3H3;1H/q+1;/p-1