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

Systemtic Name: 2-(5-azanyl-3,4-dimethyl-1,2,4-triazol-4-ium-1-yl)-1-(4-bromophenyl)ethanone bromide Openeye Name: 2-(5-amino-3,4-dimethyl-1,2,4-triazol-4-ium-1-yl)-1-(4-bromophenyl)ethanone bromide CAS Name: 2-(5-amino-3,4-dimethyl-1,2,4-triazol-4-ium-1-yl)-1-(4-bromophenyl)ethanone bromide IUPAC Name: 2-(5-amino-3,4-dimethyl-1,2,4-triazol-4-ium-1-yl)-1-(4-bromophenyl)ethanone bromide Traditional Name: 2-(5-amino-3,4-dimethyl-1,2,4-triazol-4-ium-1-yl)-1-(4-bromophenyl)ethanone bromide Formula: C12H14Br2N4O MolecularWeight: 390.07376

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=[N+]1C)N)CC(=O)C2=CC=C(C=C2)Br.[Br-]

Isomeric SMILES

CC1=NN(C(=[N+]1C)N)CC(=O)C2=CC=C(C=C2)Br.[Br-]

InChI

InChI=1S/C12H13BrN4O.BrH/c1-8-15-17(12(14)16(8)2)7-11(18)9-3-5-10(13)6-4-9;/h3-6,14H,7H2,1-2H3;1H