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

Systemtic Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]pyridin-1-ium-3-carbonitrile Openeye Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]pyridin-1-ium-3-carbonitrile CAS Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-pyridin-1-iumcarbonitrile IUPAC Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]pyridin-1-ium-3-carbonitrile Traditional Name: 1-homoveratrylpyridin-1-ium-3-carbonitrile Formula: C16H17N2O2+ MolecularWeight: 269.31838

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CC[N+]2=CC=CC(=C2)C#N)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CC[N+]2=CC=CC(=C2)C#N)OC

InChI

InChI=1S/C16H17N2O2/c1-19-15-6-5-13(10-16(15)20-2)7-9-18-8-3-4-14(11-17)12-18/h3-6,8,10,12H,7,9H2,1-2H3/q+1