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

Systemtic Name: 1-[1-[2-(3,4-dimethoxyphenyl)ethyl]pyridin-1-ium-3-yl]ethanone Openeye Name: 1-[1-[2-(3,4-dimethoxyphenyl)ethyl]pyridin-1-ium-3-yl]ethanone CAS Name: 1-[1-[2-(3,4-dimethoxyphenyl)ethyl]-3-pyridin-1-iumyl]ethanone IUPAC Name: 1-[1-[2-(3,4-dimethoxyphenyl)ethyl]pyridin-1-ium-3-yl]ethanone Traditional Name: 1-(1-homoveratrylpyridin-1-ium-3-yl)ethanone Formula: C17H20NO3+ MolecularWeight: 286.3456

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20NO3/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/q+1