2-[5,6-dimethyl-3-(phenylmethyl)benzimidazol-3-ium-1-yl]-1-naphthalen-2-yl-ethanone bromide

Systemtic Name: 2-[5,6-dimethyl-3-(phenylmethyl)benzimidazol-3-ium-1-yl]-1-naphthalen-2-yl-ethanone bromide Openeye Name: 2-(3-benzyl-5,6-dimethyl-benzimidazol-3-ium-1-yl)-1-(2-naphthyl)ethanone bromide CAS Name: 2-[5,6-dimethyl-3-(phenylmethyl)-1-benzimidazol-3-iumyl]-1-(2-naphthalenyl)ethanone bromide IUPAC Name: 2-(3-benzyl-5,6-dimethylbenzimidazol-3-ium-1-yl)-1-naphthalen-2-ylethanone bromide Traditional Name: 2-(3-benzyl-5,6-dimethyl-benzimidazol-3-ium-1-yl)-1-(2-naphthyl)ethanone bromide Formula: C28H25BrN2O MolecularWeight: 485.4149

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1C)[N+](=CN2CC(=O)C3=CC4=CC=CC=C4C=C3)CC5=CC=CC=C5.[Br-]

Isomeric SMILES

CC1=CC2=C(C=C1C)[N+](=CN2CC(=O)C3=CC4=CC=CC=C4C=C3)CC5=CC=CC=C5.[Br-]

InChI

InChI=1S/C28H25N2O.BrH/c1-20-14-26-27(15-21(20)2)30(19-29(26)17-22-8-4-3-5-9-22)18-28(31)25-13-12-23-10-6-7-11-24(23)16-25;/h3-16,19H,17-18H2,1-2H3;1H/q+1;/p-1