(2R)-2-(3,4-dimethoxyphenyl)-2-piperidin-1-ium-1-yl-ethanenitrile

Systemtic Name: (2R)-2-(3,4-dimethoxyphenyl)-2-piperidin-1-ium-1-yl-ethanenitrile Openeye Name: (2R)-2-(3,4-dimethoxyphenyl)-2-piperidin-1-ium-1-yl-acetonitrile CAS Name: (2R)-2-(3,4-dimethoxyphenyl)-2-(1-piperidin-1-iumyl)acetonitrile IUPAC Name: (2R)-2-(3,4-dimethoxyphenyl)-2-piperidin-1-ium-1-ylacetonitrile Traditional Name: (2R)-2-(3,4-dimethoxyphenyl)-2-piperidin-1-ium-1-yl-acetonitrile Formula: C15H21N2O2+ MolecularWeight: 261.33944

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

COC1=C(C=C(C=C1)[C@H](C#N)[NH+]2CCCCC2)OC

InChI

InChI=1S/C15H20N2O2/c1-18-14-7-6-12(10-15(14)19-2)13(11-16)17-8-4-3-5-9-17/h6-7,10,13H,3-5,8-9H2,1-2H3/p+1/t13-/m0/s1