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

Systemtic Name: 2-(4-azanyl-1,2,4-triazol-4-ium-1-yl)-1-phenyl-ethanone bromide Openeye Name: 2-(4-amino-1,2,4-triazol-4-ium-1-yl)-1-phenyl-ethanone bromide CAS Name: 2-(4-amino-1,2,4-triazol-4-ium-1-yl)-1-phenylethanone bromide IUPAC Name: 2-(4-amino-1,2,4-triazol-4-ium-1-yl)-1-phenylethanone bromide Traditional Name: 2-(4-amino-1,2,4-triazol-4-ium-1-yl)-1-phenyl-ethanone bromide Formula: C10H11BrN4O MolecularWeight: 283.12454

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H11N4O.BrH/c11-13-7-12-14(8-13)6-10(15)9-4-2-1-3-5-9;/h1-5,7-8H,6,11H2;1H/q+1;/p-1