1-[(S)-cyano(phenyl)methyl]piperidin-1-ium-4-carboxylate

Systemtic Name: 1-[(S)-cyano(phenyl)methyl]piperidin-1-ium-4-carboxylate Openeye Name: 1-[(S)-cyano(phenyl)methyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[(S)-cyano(phenyl)methyl]-4-piperidin-1-iumcarboxylate IUPAC Name: 1-[(S)-cyano(phenyl)methyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[(S)-cyano(phenyl)methyl]piperidin-1-ium-4-carboxylate Formula: C14H16N2O2 MolecularWeight: 244.28904

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C(=O)[O-])C(C#N)C2=CC=CC=C2

Isomeric SMILES

C1C[NH+](CCC1C(=O)[O-])[C@H](C#N)C2=CC=CC=C2

InChI

InChI=1S/C14H16N2O2/c15-10-13(11-4-2-1-3-5-11)16-8-6-12(7-9-16)14(17)18/h1-5,12-13H,6-9H2,(H,17,18)/t13-/m1/s1