1-(4-bromophenyl)-2-(3-methylbenzotriazol-3-ium-1-yl)ethanone bromide

Systemtic Name: 1-(4-bromophenyl)-2-(3-methylbenzotriazol-3-ium-1-yl)ethanone bromide Openeye Name: 1-(4-bromophenyl)-2-(3-methylbenzotriazol-3-ium-1-yl)ethanone bromide CAS Name: 1-(4-bromophenyl)-2-(3-methyl-1-benzotriazol-3-iumyl)ethanone bromide IUPAC Name: 1-(4-bromophenyl)-2-(3-methylbenzotriazol-3-ium-1-yl)ethanone bromide Traditional Name: 1-(4-bromophenyl)-2-(3-methylbenzotriazol-3-ium-1-yl)ethanone bromide Formula: C15H13Br2N3O MolecularWeight: 411.09122

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=NN(C2=CC=CC=C21)CC(=O)C3=CC=C(C=C3)Br.[Br-]

Isomeric SMILES

C[N+]1=NN(C2=CC=CC=C21)CC(=O)C3=CC=C(C=C3)Br.[Br-]

InChI

InChI=1S/C15H13BrN3O.BrH/c1-18-13-4-2-3-5-14(13)19(17-18)10-15(20)11-6-8-12(16)9-7-11;/h2-9H,10H2,1H3;1H/q+1;/p-1