2-[3-methyl-2-(phenylmethyl)benzimidazol-3-ium-1-yl]-1-phenyl-ethanone bromide

Systemtic Name: 2-[3-methyl-2-(phenylmethyl)benzimidazol-3-ium-1-yl]-1-phenyl-ethanone bromide Openeye Name: 2-(2-benzyl-3-methyl-benzimidazol-3-ium-1-yl)-1-phenyl-ethanone bromide CAS Name: 2-[3-methyl-2-(phenylmethyl)-1-benzimidazol-3-iumyl]-1-phenylethanone bromide IUPAC Name: 2-(2-benzyl-3-methylbenzimidazol-3-ium-1-yl)-1-phenylethanone bromide Traditional Name: 2-(2-benzyl-3-methyl-benzimidazol-3-ium-1-yl)-1-phenyl-ethanone bromide Formula: C23H21BrN2O MolecularWeight: 421.32964

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(N(C2=CC=CC=C21)CC(=O)C3=CC=CC=C3)CC4=CC=CC=C4.[Br-]

Isomeric SMILES

C[N+]1=C(N(C2=CC=CC=C21)CC(=O)C3=CC=CC=C3)CC4=CC=CC=C4.[Br-]

InChI

InChI=1S/C23H21N2O.BrH/c1-24-20-14-8-9-15-21(20)25(17-22(26)19-12-6-3-7-13-19)23(24)16-18-10-4-2-5-11-18;/h2-15H,16-17H2,1H3;1H/q+1;/p-1