(2R,5S)-5-(phenylmethyl)piperidin-1-ium-2-carboxylate

Systemtic Name: (2R,5S)-5-(phenylmethyl)piperidin-1-ium-2-carboxylate Openeye Name: (2R,5S)-5-benzylpiperidin-1-ium-2-carboxylate CAS Name: (2R,5S)-5-(phenylmethyl)-2-piperidin-1-iumcarboxylate IUPAC Name: (2R,5S)-5-benzylpiperidin-1-ium-2-carboxylate Traditional Name: (2R,5S)-5-benzylpiperidin-1-ium-2-carboxylate Formula: C13H17NO2 MolecularWeight: 219.27958

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Descriptors Computed from Structure

Canonical SMILES:

C1CC([NH2+]CC1CC2=CC=CC=C2)C(=O)[O-]

Isomeric SMILES

C1C[C@@H]([NH2+]C[C@@H]1CC2=CC=CC=C2)C(=O)[O-]

InChI

InChI=1S/C13H17NO2/c15-13(16)12-7-6-11(9-14-12)8-10-4-2-1-3-5-10/h1-5,11-12,14H,6-9H2,(H,15,16)/t11-,12+/m0/s1