2-[1-[2-(3,4-dimethoxyphenyl)ethyl]piperidin-1-ium-1-yl]ethanenitrile

Systemtic Name: 2-[1-[2-(3,4-dimethoxyphenyl)ethyl]piperidin-1-ium-1-yl]ethanenitrile Openeye Name: 2-[1-[2-(3,4-dimethoxyphenyl)ethyl]piperidin-1-ium-1-yl]acetonitrile CAS Name: 2-[1-[2-(3,4-dimethoxyphenyl)ethyl]-1-piperidin-1-iumyl]acetonitrile IUPAC Name: 2-[1-[2-(3,4-dimethoxyphenyl)ethyl]piperidin-1-ium-1-yl]acetonitrile Traditional Name: 2-(1-homoveratrylpiperidin-1-ium-1-yl)acetonitrile Formula: C17H25N2O2+ MolecularWeight: 289.3926

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CC[N+]2(CCCCC2)CC#N)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CC[N+]2(CCCCC2)CC#N)OC

InChI

InChI=1S/C17H25N2O2/c1-20-16-7-6-15(14-17(16)21-2)8-12-19(13-9-18)10-4-3-5-11-19/h6-7,14H,3-5,8,10-13H2,1-2H3/q+1