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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CC2=CC=CC(=C2)C#N)C(=O)[O-]

InChI

InChI=1S/C14H16N2O2/c15-8-11-3-1-4-12(7-11)9-16-6-2-5-13(10-16)14(17)18/h1,3-4,7,13H,2,5-6,9-10H2,(H,17,18)/t13-/m0/s1