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

Systemtic Name: 2-(4-azanyl-3,5-dimethyl-1,2,4-triazol-4-ium-1-yl)-1-(3,4-dimethylphenyl)ethanone bromide Openeye Name: 2-(4-amino-3,5-dimethyl-1,2,4-triazol-4-ium-1-yl)-1-(3,4-dimethylphenyl)ethanone bromide CAS Name: 2-(4-amino-3,5-dimethyl-1,2,4-triazol-4-ium-1-yl)-1-(3,4-dimethylphenyl)ethanone bromide IUPAC Name: 2-(4-amino-3,5-dimethyl-1,2,4-triazol-4-ium-1-yl)-1-(3,4-dimethylphenyl)ethanone bromide Traditional Name: 2-(4-amino-3,5-dimethyl-1,2,4-triazol-4-ium-1-yl)-1-(3,4-dimethylphenyl)ethanone bromide Formula: C14H19BrN4O MolecularWeight: 339.23086

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H19N4O.BrH/c1-9-5-6-13(7-10(9)2)14(19)8-17-12(4)18(15)11(3)16-17;/h5-7H,8,15H2,1-4H3;1H/q+1;/p-1