(2S)-1-[(3-fluorophenyl)methyl]piperidin-1-ium-2-carboxylate

Systemtic Name: (2S)-1-[(3-fluorophenyl)methyl]piperidin-1-ium-2-carboxylate Openeye Name: (2S)-1-[(3-fluorophenyl)methyl]piperidin-1-ium-2-carboxylate CAS Name: (2S)-1-[(3-fluorophenyl)methyl]-2-piperidin-1-iumcarboxylate IUPAC Name: (2S)-1-[(3-fluorophenyl)methyl]piperidin-1-ium-2-carboxylate Traditional Name: (2S)-1-(3-fluorobenzyl)piperidin-1-ium-2-carboxylate Formula: C13H16FNO2 MolecularWeight: 237.270043

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C1CC[NH+]([C@@H](C1)C(=O)[O-])CC2=CC(=CC=C2)F

InChI

InChI=1S/C13H16FNO2/c14-11-5-3-4-10(8-11)9-15-7-2-1-6-12(15)13(16)17/h3-5,8,12H,1-2,6-7,9H2,(H,16,17)/t12-/m0/s1