(2R)-4-[(3-ethanoylphenyl)amino]-4-oxidanylidene-2-piperidin-1-ium-1-yl-butanoate

Systemtic Name: (2R)-4-[(3-ethanoylphenyl)amino]-4-oxidanylidene-2-piperidin-1-ium-1-yl-butanoate Openeye Name: (2R)-4-(3-acetylanilino)-4-oxo-2-piperidin-1-ium-1-yl-butanoate CAS Name: (2R)-4-(3-acetylanilino)-4-oxo-2-(1-piperidin-1-iumyl)butanoate IUPAC Name: (2R)-4-(3-acetylanilino)-4-oxo-2-piperidin-1-ium-1-ylbutanoate Traditional Name: (2R)-4-(3-acetylanilino)-4-keto-2-piperidin-1-ium-1-yl-butyrate Formula: C17H22N2O4 MolecularWeight: 318.36758

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CC=C1)NC(=O)CC(C(=O)[O-])[NH+]2CCCCC2

Isomeric SMILES

CC(=O)C1=CC(=CC=C1)NC(=O)C[C@H](C(=O)[O-])[NH+]2CCCCC2

InChI

InChI=1S/C17H22N2O4/c1-12(20)13-6-5-7-14(10-13)18-16(21)11-15(17(22)23)19-8-3-2-4-9-19/h5-7,10,15H,2-4,8-9,11H2,1H3,(H,18,21)(H,22,23)/t15-/m1/s1