(2R)-2-piperidin-1-ium-1-yl-2-(3,4,5-trimethoxyphenyl)ethanenitrile

Systemtic Name: (2R)-2-piperidin-1-ium-1-yl-2-(3,4,5-trimethoxyphenyl)ethanenitrile Openeye Name: (2R)-2-piperidin-1-ium-1-yl-2-(3,4,5-trimethoxyphenyl)acetonitrile CAS Name: (2R)-2-(1-piperidin-1-iumyl)-2-(3,4,5-trimethoxyphenyl)acetonitrile IUPAC Name: (2R)-2-piperidin-1-ium-1-yl-2-(3,4,5-trimethoxyphenyl)acetonitrile Traditional Name: (2R)-2-piperidin-1-ium-1-yl-2-(3,4,5-trimethoxyphenyl)acetonitrile Formula: C16H23N2O3+ MolecularWeight: 291.36542

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(C#N)[NH+]2CCCCC2

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)[C@H](C#N)[NH+]2CCCCC2

InChI

InChI=1S/C16H22N2O3/c1-19-14-9-12(10-15(20-2)16(14)21-3)13(11-17)18-7-5-4-6-8-18/h9-10,13H,4-8H2,1-3H3/p+1/t13-/m0/s1