4-cyano-1-(phenylmethyl)piperidin-1-ium-4-carboxylate

Systemtic Name: 4-cyano-1-(phenylmethyl)piperidin-1-ium-4-carboxylate Openeye Name: 1-benzyl-4-cyano-piperidin-1-ium-4-carboxylate CAS Name: 4-cyano-1-(phenylmethyl)-4-piperidin-1-iumcarboxylate IUPAC Name: 1-benzyl-4-cyanopiperidin-1-ium-4-carboxylate Traditional Name: 1-benzyl-4-cyano-piperidin-1-ium-4-carboxylate Formula: C14H16N2O2 MolecularWeight: 244.28904

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1(C#N)C(=O)[O-])CC2=CC=CC=C2

Isomeric SMILES

C1C[NH+](CCC1(C#N)C(=O)[O-])CC2=CC=CC=C2

InChI

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