1-(4-bromophenyl)-2-[1-(phenylmethyl)-1,2,4-triazol-4-ium-4-yl]ethanone bromide

Systemtic Name: 1-(4-bromophenyl)-2-[1-(phenylmethyl)-1,2,4-triazol-4-ium-4-yl]ethanone bromide Openeye Name: 2-(1-benzyl-1,2,4-triazol-4-ium-4-yl)-1-(4-bromophenyl)ethanone bromide CAS Name: 1-(4-bromophenyl)-2-[1-(phenylmethyl)-1,2,4-triazol-4-ium-4-yl]ethanone bromide IUPAC Name: 2-(1-benzyl-1,2,4-triazol-4-ium-4-yl)-1-(4-bromophenyl)ethanone bromide Traditional Name: 2-(1-benzyl-1,2,4-triazol-4-ium-4-yl)-1-(4-bromophenyl)ethanone bromide Formula: C17H15Br2N3O MolecularWeight: 437.1285

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C=[N+](C=N2)CC(=O)C3=CC=C(C=C3)Br.[Br-]

Isomeric SMILES

C1=CC=C(C=C1)CN2C=[N+](C=N2)CC(=O)C3=CC=C(C=C3)Br.[Br-]

InChI

InChI=1S/C17H15BrN3O.BrH/c18-16-8-6-15(7-9-16)17(22)11-20-12-19-21(13-20)10-14-4-2-1-3-5-14;/h1-9,12-13H,10-11H2;1H/q+1;/p-1