1-[(3-cyanophenyl)methyl]piperidin-1-ium-4-carboxylate

Systemtic Name: 1-[(3-cyanophenyl)methyl]piperidin-1-ium-4-carboxylate Openeye Name: 1-[(3-cyanophenyl)methyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[(3-cyanophenyl)methyl]-4-piperidin-1-iumcarboxylate IUPAC Name: 1-[(3-cyanophenyl)methyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-(3-cyanobenzyl)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-])CC2=CC=CC(=C2)C#N

Isomeric SMILES

C1C[NH+](CCC1C(=O)[O-])CC2=CC=CC(=C2)C#N

InChI

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