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

Systemtic Name: 2-(4-azanyl-1,2,4-triazol-4-ium-1-yl)-1-(2-chlorophenyl)ethanone bromide Openeye Name: 2-(4-amino-1,2,4-triazol-4-ium-1-yl)-1-(2-chlorophenyl)ethanone bromide CAS Name: 2-(4-amino-1,2,4-triazol-4-ium-1-yl)-1-(2-chlorophenyl)ethanone bromide IUPAC Name: 2-(4-amino-1,2,4-triazol-4-ium-1-yl)-1-(2-chlorophenyl)ethanone bromide Traditional Name: 2-(4-amino-1,2,4-triazol-4-ium-1-yl)-1-(2-chlorophenyl)ethanone bromide Formula: C10H10BrClN4O MolecularWeight: 317.5696

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H10ClN4O.BrH/c11-9-4-2-1-3-8(9)10(16)5-15-7-14(12)6-13-15;/h1-4,6-7H,5,12H2;1H/q+1;/p-1