(2R)-2-(3-methoxyphenyl)-2-piperidin-1-ium-1-yl-ethanenitrile

Systemtic Name: (2R)-2-(3-methoxyphenyl)-2-piperidin-1-ium-1-yl-ethanenitrile Openeye Name: (2R)-2-(3-methoxyphenyl)-2-piperidin-1-ium-1-yl-acetonitrile CAS Name: (2R)-2-(3-methoxyphenyl)-2-(1-piperidin-1-iumyl)acetonitrile IUPAC Name: (2R)-2-(3-methoxyphenyl)-2-piperidin-1-ium-1-ylacetonitrile Traditional Name: (2R)-2-(3-methoxyphenyl)-2-piperidin-1-ium-1-yl-acetonitrile Formula: C14H19N2O+ MolecularWeight: 231.31346

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18N2O/c1-17-13-7-5-6-12(10-13)14(11-15)16-8-3-2-4-9-16/h5-7,10,14H,2-4,8-9H2,1H3/p+1/t14-/m0/s1