(2R)-2-[(3S)-3-aminocarbonylpiperidin-1-ium-1-yl]-2-phenyl-ethanoate

Systemtic Name: (2R)-2-[(3S)-3-aminocarbonylpiperidin-1-ium-1-yl]-2-phenyl-ethanoate Openeye Name: (2R)-2-[(3S)-3-carbamoylpiperidin-1-ium-1-yl]-2-phenyl-acetate CAS Name: (2R)-2-[(3S)-3-carbamoyl-1-piperidin-1-iumyl]-2-phenylacetate IUPAC Name: (2R)-2-[(3S)-3-carbamoylpiperidin-1-ium-1-yl]-2-phenylacetate Traditional Name: (2R)-2-[(3S)-3-carbamoylpiperidin-1-ium-1-yl]-2-phenyl-acetate Formula: C14H18N2O3 MolecularWeight: 262.30432

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C1C[C@@H](C[NH+](C1)[C@H](C2=CC=CC=C2)C(=O)[O-])C(=O)N

InChI

InChI=1S/C14H18N2O3/c15-13(17)11-7-4-8-16(9-11)12(14(18)19)10-5-2-1-3-6-10/h1-3,5-6,11-12H,4,7-9H2,(H2,15,17)(H,18,19)/t11-,12+/m0/s1