(3S)-1-(2-oxidanylidene-2-phenylazanyl-ethyl)piperidin-1-ium-3-carboxylate

Systemtic Name: (3S)-1-(2-oxidanylidene-2-phenylazanyl-ethyl)piperidin-1-ium-3-carboxylate Openeye Name: (3S)-1-(2-anilino-2-oxo-ethyl)piperidin-1-ium-3-carboxylate CAS Name: (3S)-1-(2-anilino-2-oxoethyl)-3-piperidin-1-iumcarboxylate IUPAC Name: (3S)-1-(2-anilino-2-oxoethyl)piperidin-1-ium-3-carboxylate Traditional Name: (3S)-1-(2-anilino-2-keto-ethyl)piperidin-1-ium-3-carboxylate Formula: C14H18N2O3 MolecularWeight: 262.30432

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC(=O)NC2=CC=CC=C2)C(=O)[O-]

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CC(=O)NC2=CC=CC=C2)C(=O)[O-]

InChI

InChI=1S/C14H18N2O3/c17-13(15-12-6-2-1-3-7-12)10-16-8-4-5-11(9-16)14(18)19/h1-3,6-7,11H,4-5,8-10H2,(H,15,17)(H,18,19)/t11-/m0/s1