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

Systemtic Name: 1-(3,4-dimethoxyphenyl)-2-[3-(hydroxymethyl)pyridin-1-ium-1-yl]ethanone bromide Openeye Name: 1-(3,4-dimethoxyphenyl)-2-[3-(hydroxymethyl)pyridin-1-ium-1-yl]ethanone bromide CAS Name: 1-(3,4-dimethoxyphenyl)-2-[3-(hydroxymethyl)-1-pyridin-1-iumyl]ethanone bromide IUPAC Name: 1-(3,4-dimethoxyphenyl)-2-[3-(hydroxymethyl)pyridin-1-ium-1-yl]ethanone bromide Traditional Name: 1-(3,4-dimethoxyphenyl)-2-(3-methylolpyridin-1-ium-1-yl)ethanone bromide Formula: C16H18BrNO4 MolecularWeight: 368.22242

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18NO4.BrH/c1-20-15-6-5-13(8-16(15)21-2)14(19)10-17-7-3-4-12(9-17)11-18;/h3-9,18H,10-11H2,1-2H3;1H/q+1;/p-1