2-[5,6-dimethyl-3-(phenylmethyl)benzimidazol-3-ium-1-yl]-1-(4-methoxyphenyl)ethanone bromide

Systemtic Name: 2-[5,6-dimethyl-3-(phenylmethyl)benzimidazol-3-ium-1-yl]-1-(4-methoxyphenyl)ethanone bromide Openeye Name: 2-(3-benzyl-5,6-dimethyl-benzimidazol-3-ium-1-yl)-1-(4-methoxyphenyl)ethanone bromide CAS Name: 2-[5,6-dimethyl-3-(phenylmethyl)-1-benzimidazol-3-iumyl]-1-(4-methoxyphenyl)ethanone bromide IUPAC Name: 2-(3-benzyl-5,6-dimethylbenzimidazol-3-ium-1-yl)-1-(4-methoxyphenyl)ethanone bromide Traditional Name: 2-(3-benzyl-5,6-dimethyl-benzimidazol-3-ium-1-yl)-1-(4-methoxyphenyl)ethanone bromide Formula: C25H25BrN2O2 MolecularWeight: 465.3822

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1C)[N+](=CN2CC(=O)C3=CC=C(C=C3)OC)CC4=CC=CC=C4.[Br-]

Isomeric SMILES

CC1=CC2=C(C=C1C)[N+](=CN2CC(=O)C3=CC=C(C=C3)OC)CC4=CC=CC=C4.[Br-]

InChI

InChI=1S/C25H25N2O2.BrH/c1-18-13-23-24(14-19(18)2)27(17-26(23)15-20-7-5-4-6-8-20)16-25(28)21-9-11-22(29-3)12-10-21;/h4-14,17H,15-16H2,1-3H3;1H/q+1;/p-1