(2R)-2-(3-ethoxy-4-methoxy-phenyl)-2-piperidin-1-ium-1-yl-ethanenitrile

Systemtic Name: (2R)-2-(3-ethoxy-4-methoxy-phenyl)-2-piperidin-1-ium-1-yl-ethanenitrile Openeye Name: (2R)-2-(3-ethoxy-4-methoxy-phenyl)-2-piperidin-1-ium-1-yl-acetonitrile CAS Name: (2R)-2-(3-ethoxy-4-methoxyphenyl)-2-(1-piperidin-1-iumyl)acetonitrile IUPAC Name: (2R)-2-(3-ethoxy-4-methoxyphenyl)-2-piperidin-1-ium-1-ylacetonitrile Traditional Name: (2R)-2-(3-ethoxy-4-methoxy-phenyl)-2-piperidin-1-ium-1-yl-acetonitrile Formula: C16H23N2O2+ MolecularWeight: 275.36602

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C(C#N)[NH+]2CCCCC2)OC

Isomeric SMILES

CCOC1=C(C=CC(=C1)[C@H](C#N)[NH+]2CCCCC2)OC

InChI

InChI=1S/C16H22N2O2/c1-3-20-16-11-13(7-8-15(16)19-2)14(12-17)18-9-5-4-6-10-18/h7-8,11,14H,3-6,9-10H2,1-2H3/p+1/t14-/m0/s1