(2S)-2-(4-oxidanylpiperidin-1-ium-1-yl)-2-phenyl-ethanoate

Systemtic Name: (2S)-2-(4-oxidanylpiperidin-1-ium-1-yl)-2-phenyl-ethanoate Openeye Name: (2S)-2-(4-hydroxypiperidin-1-ium-1-yl)-2-phenyl-acetate CAS Name: (2S)-2-(4-hydroxy-1-piperidin-1-iumyl)-2-phenylacetate IUPAC Name: (2S)-2-(4-hydroxypiperidin-1-ium-1-yl)-2-phenylacetate Traditional Name: (2S)-2-(4-hydroxypiperidin-1-ium-1-yl)-2-phenyl-acetate Formula: C13H17NO3 MolecularWeight: 235.27898

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1O)C(C2=CC=CC=C2)C(=O)[O-]

Isomeric SMILES

C1C[NH+](CCC1O)[C@@H](C2=CC=CC=C2)C(=O)[O-]

InChI

InChI=1S/C13H17NO3/c15-11-6-8-14(9-7-11)12(13(16)17)10-4-2-1-3-5-10/h1-5,11-12,15H,6-9H2,(H,16,17)/t12-/m0/s1