1-[(S)-cyano-(2-fluorophenyl)methyl]piperidin-1-ium-4-carboxylate

Systemtic Name: 1-[(S)-cyano-(2-fluorophenyl)methyl]piperidin-1-ium-4-carboxylate Openeye Name: 1-[(S)-cyano-(2-fluorophenyl)methyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[(S)-cyano-(2-fluorophenyl)methyl]-4-piperidin-1-iumcarboxylate IUPAC Name: 1-[(S)-cyano-(2-fluorophenyl)methyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[(S)-cyano-(2-fluorophenyl)methyl]piperidin-1-ium-4-carboxylate Formula: C14H15FN2O2 MolecularWeight: 262.279503

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C(=O)[O-])C(C#N)C2=CC=CC=C2F

Isomeric SMILES

C1C[NH+](CCC1C(=O)[O-])[C@H](C#N)C2=CC=CC=C2F

InChI

InChI=1S/C14H15FN2O2/c15-12-4-2-1-3-11(12)13(9-16)17-7-5-10(6-8-17)14(18)19/h1-4,10,13H,5-8H2,(H,18,19)/t13-/m1/s1