2-(3-methylbenzimidazol-3-ium-1-yl)-1-phenyl-ethanone bromide

Systemtic Name: 2-(3-methylbenzimidazol-3-ium-1-yl)-1-phenyl-ethanone bromide Openeye Name: 2-(3-methylbenzimidazol-3-ium-1-yl)-1-phenyl-ethanone bromide CAS Name: 2-(3-methyl-1-benzimidazol-3-iumyl)-1-phenylethanone bromide IUPAC Name: 2-(3-methylbenzimidazol-3-ium-1-yl)-1-phenylethanone bromide Traditional Name: 2-(3-methylbenzimidazol-3-ium-1-yl)-1-phenyl-ethanone bromide Formula: C16H15BrN2O MolecularWeight: 331.2071

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H15N2O.BrH/c1-17-12-18(15-10-6-5-9-14(15)17)11-16(19)13-7-3-2-4-8-13;/h2-10,12H,11H2,1H3;1H/q+1;/p-1