(2R)-1-[(3-cyanophenyl)methyl]piperidin-1-ium-2-carboxylate

Systemtic Name: (2R)-1-[(3-cyanophenyl)methyl]piperidin-1-ium-2-carboxylate Openeye Name: (2R)-1-[(3-cyanophenyl)methyl]piperidin-1-ium-2-carboxylate CAS Name: (2R)-1-[(3-cyanophenyl)methyl]-2-piperidin-1-iumcarboxylate IUPAC Name: (2R)-1-[(3-cyanophenyl)methyl]piperidin-1-ium-2-carboxylate Traditional Name: (2R)-1-(3-cyanobenzyl)piperidin-1-ium-2-carboxylate Formula: C14H16N2O2 MolecularWeight: 244.28904

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C(C1)C(=O)[O-])CC2=CC=CC(=C2)C#N

Isomeric SMILES

C1CC[NH+]([C@H](C1)C(=O)[O-])CC2=CC=CC(=C2)C#N

InChI

InChI=1S/C14H16N2O2/c15-9-11-4-3-5-12(8-11)10-16-7-2-1-6-13(16)14(17)18/h3-5,8,13H,1-2,6-7,10H2,(H,17,18)/t13-/m1/s1