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

Systemtic Name: (2R)-2-(3-methoxy-4-oxidanyl-phenyl)-2-piperidin-1-ium-1-yl-ethanenitrile Openeye Name: (2R)-2-(4-hydroxy-3-methoxy-phenyl)-2-piperidin-1-ium-1-yl-acetonitrile CAS Name: (2R)-2-(4-hydroxy-3-methoxyphenyl)-2-(1-piperidin-1-iumyl)acetonitrile IUPAC Name: (2R)-2-(4-hydroxy-3-methoxyphenyl)-2-piperidin-1-ium-1-ylacetonitrile Traditional Name: (2R)-2-(4-hydroxy-3-methoxy-phenyl)-2-piperidin-1-ium-1-yl-acetonitrile Formula: C14H19N2O2+ MolecularWeight: 247.31286

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18N2O2/c1-18-14-9-11(5-6-13(14)17)12(10-15)16-7-3-2-4-8-16/h5-6,9,12,17H,2-4,7-8H2,1H3/p+1/t12-/m0/s1