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

Systemtic Name: 1-[1-[2-(3,4-dimethoxyphenyl)ethyl]pyridin-1-ium-3-yl]ethanone bromide Openeye Name: 1-[1-[2-(3,4-dimethoxyphenyl)ethyl]pyridin-1-ium-3-yl]ethanone bromide CAS Name: 1-[1-[2-(3,4-dimethoxyphenyl)ethyl]-3-pyridin-1-iumyl]ethanone bromide IUPAC Name: 1-[1-[2-(3,4-dimethoxyphenyl)ethyl]pyridin-1-ium-3-yl]ethanone bromide Traditional Name: 1-(1-homoveratrylpyridin-1-ium-3-yl)ethanone bromide Formula: C17H20BrNO3 MolecularWeight: 366.2496

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=C[N+](=CC=C1)CCC2=CC(=C(C=C2)OC)OC.[Br-]

Isomeric SMILES

CC(=O)C1=C[N+](=CC=C1)CCC2=CC(=C(C=C2)OC)OC.[Br-]

InChI

InChI=1S/C17H20NO3.BrH/c1-13(19)15-5-4-9-18(12-15)10-8-14-6-7-16(20-2)17(11-14)21-3;/h4-7,9,11-12H,8,10H2,1-3H3;1H/q+1;/p-1