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

Systemtic Name: 1-(3,4-dimethoxyphenyl)-2-[4-(phenylmethyl)pyridin-1-ium-1-yl]ethanone bromide Openeye Name: 2-(4-benzylpyridin-1-ium-1-yl)-1-(3,4-dimethoxyphenyl)ethanone bromide CAS Name: 1-(3,4-dimethoxyphenyl)-2-[4-(phenylmethyl)-1-pyridin-1-iumyl]ethanone bromide IUPAC Name: 2-(4-benzylpyridin-1-ium-1-yl)-1-(3,4-dimethoxyphenyl)ethanone bromide Traditional Name: 2-(4-benzylpyridin-1-ium-1-yl)-1-(3,4-dimethoxyphenyl)ethanone bromide Formula: C22H22BrNO3 MolecularWeight: 428.31898

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22NO3.BrH/c1-25-21-9-8-19(15-22(21)26-2)20(24)16-23-12-10-18(11-13-23)14-17-6-4-3-5-7-17;/h3-13,15H,14,16H2,1-2H3;1H/q+1;/p-1