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

Systemtic Name: (2S)-2-(4-aminocarbonylpiperidin-1-ium-1-yl)-2-phenyl-ethanoate Openeye Name: (2S)-2-(4-carbamoylpiperidin-1-ium-1-yl)-2-phenyl-acetate CAS Name: (2S)-2-(4-carbamoyl-1-piperidin-1-iumyl)-2-phenylacetate IUPAC Name: (2S)-2-(4-carbamoylpiperidin-1-ium-1-yl)-2-phenylacetate Traditional Name: (2S)-2-(4-carbamoylpiperidin-1-ium-1-yl)-2-phenyl-acetate Formula: C14H18N2O3 MolecularWeight: 262.30432

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C(=O)N)C(C2=CC=CC=C2)C(=O)[O-]

Isomeric SMILES

C1C[NH+](CCC1C(=O)N)[C@@H](C2=CC=CC=C2)C(=O)[O-]

InChI

InChI=1S/C14H18N2O3/c15-13(17)11-6-8-16(9-7-11)12(14(18)19)10-4-2-1-3-5-10/h1-5,11-12H,6-9H2,(H2,15,17)(H,18,19)/t12-/m0/s1