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

Systemtic Name: 1-(3-methoxyphenyl)-2-[4-(phenylmethyl)pyridin-1-ium-1-yl]ethanone bromide Openeye Name: 2-(4-benzylpyridin-1-ium-1-yl)-1-(3-methoxyphenyl)ethanone bromide CAS Name: 1-(3-methoxyphenyl)-2-[4-(phenylmethyl)-1-pyridin-1-iumyl]ethanone bromide IUPAC Name: 2-(4-benzylpyridin-1-ium-1-yl)-1-(3-methoxyphenyl)ethanone bromide Traditional Name: 2-(4-benzylpyridin-1-ium-1-yl)-1-(3-methoxyphenyl)ethanone bromide Formula: C21H20BrNO2 MolecularWeight: 398.293

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C(=O)C[N+]2=CC=C(C=C2)CC3=CC=CC=C3.[Br-]

Isomeric SMILES

COC1=CC=CC(=C1)C(=O)C[N+]2=CC=C(C=C2)CC3=CC=CC=C3.[Br-]

InChI

InChI=1S/C21H20NO2.BrH/c1-24-20-9-5-8-19(15-20)21(23)16-22-12-10-18(11-13-22)14-17-6-3-2-4-7-17;/h2-13,15H,14,16H2,1H3;1H/q+1;/p-1