(2S)-1-(phenylmethyl)piperidin-1-ium-2-carboxylate

Systemtic Name: (2S)-1-(phenylmethyl)piperidin-1-ium-2-carboxylate Openeye Name: (2S)-1-benzylpiperidin-1-ium-2-carboxylate CAS Name: (2S)-1-(phenylmethyl)-2-piperidin-1-iumcarboxylate IUPAC Name: (2S)-1-benzylpiperidin-1-ium-2-carboxylate Traditional Name: (2S)-1-benzylpiperidin-1-ium-2-carboxylate Formula: C13H17NO2 MolecularWeight: 219.27958

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17NO2/c15-13(16)12-8-4-5-9-14(12)10-11-6-2-1-3-7-11/h1-3,6-7,12H,4-5,8-10H2,(H,15,16)/t12-/m0/s1