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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)CN2C=[N+](C=N2)CC3=CC=C(C=C3)Br.[Br-]

Isomeric SMILES

C1=CC=C(C=C1)C(=O)CN2C=[N+](C=N2)CC3=CC=C(C=C3)Br.[Br-]

InChI

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