(2R)-4-oxidanylidene-4-phenylazanyl-2-piperidin-1-ium-1-yl-butanoate

Systemtic Name: (2R)-4-oxidanylidene-4-phenylazanyl-2-piperidin-1-ium-1-yl-butanoate Openeye Name: (2R)-4-anilino-4-oxo-2-piperidin-1-ium-1-yl-butanoate CAS Name: (2R)-4-anilino-4-oxo-2-(1-piperidin-1-iumyl)butanoate IUPAC Name: (2R)-4-anilino-4-oxo-2-piperidin-1-ium-1-ylbutanoate Traditional Name: (2R)-4-anilino-4-keto-2-piperidin-1-ium-1-yl-butyrate Formula: C15H20N2O3 MolecularWeight: 276.3309

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)C(CC(=O)NC2=CC=CC=C2)C(=O)[O-]

Isomeric SMILES

C1CC[NH+](CC1)[C@H](CC(=O)NC2=CC=CC=C2)C(=O)[O-]

InChI

InChI=1S/C15H20N2O3/c18-14(16-12-7-3-1-4-8-12)11-13(15(19)20)17-9-5-2-6-10-17/h1,3-4,7-8,13H,2,5-6,9-11H2,(H,16,18)(H,19,20)/t13-/m1/s1