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

Systemtic Name: 2-(4-azanyl-1,2,4-triazol-4-ium-1-yl)-1-(4-methylphenyl)ethanone bromide Openeye Name: 2-(4-amino-1,2,4-triazol-4-ium-1-yl)-1-(p-tolyl)ethanone bromide CAS Name: 2-(4-amino-1,2,4-triazol-4-ium-1-yl)-1-(4-methylphenyl)ethanone bromide IUPAC Name: 2-(4-amino-1,2,4-triazol-4-ium-1-yl)-1-(4-methylphenyl)ethanone bromide Traditional Name: 2-(4-amino-1,2,4-triazol-4-ium-1-yl)-1-(p-tolyl)ethanone bromide Formula: C11H13BrN4O MolecularWeight: 297.15112

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H13N4O.BrH/c1-9-2-4-10(5-3-9)11(16)6-15-8-14(12)7-13-15;/h2-5,7-8H,6,12H2,1H3;1H/q+1;/p-1