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

Systemtic Name: 1-(4-methoxyphenyl)-2-[3-(phenylmethyl)benzimidazol-3-ium-1-yl]ethanone bromide Openeye Name: 2-(3-benzylbenzimidazol-3-ium-1-yl)-1-(4-methoxyphenyl)ethanone bromide CAS Name: 1-(4-methoxyphenyl)-2-[3-(phenylmethyl)-1-benzimidazol-3-iumyl]ethanone bromide IUPAC Name: 2-(3-benzylbenzimidazol-3-ium-1-yl)-1-(4-methoxyphenyl)ethanone bromide Traditional Name: 2-(3-benzylbenzimidazol-3-ium-1-yl)-1-(4-methoxyphenyl)ethanone bromide Formula: C23H21BrN2O2 MolecularWeight: 437.32904

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)CN2C=[N+](C3=CC=CC=C32)CC4=CC=CC=C4.[Br-]

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)CN2C=[N+](C3=CC=CC=C32)CC4=CC=CC=C4.[Br-]

InChI

InChI=1S/C23H21N2O2.BrH/c1-27-20-13-11-19(12-14-20)23(26)16-25-17-24(15-18-7-3-2-4-8-18)21-9-5-6-10-22(21)25;/h2-14,17H,15-16H2,1H3;1H/q+1;/p-1