(3S)-1-[2-[(3-acetamidophenyl)amino]-2-oxidanylidene-ethyl]piperidin-1-ium-3-carboxylate

Systemtic Name: (3S)-1-[2-[(3-acetamidophenyl)amino]-2-oxidanylidene-ethyl]piperidin-1-ium-3-carboxylate Openeye Name: (3S)-1-[2-(3-acetamidoanilino)-2-oxo-ethyl]piperidin-1-ium-3-carboxylate CAS Name: (3S)-1-[2-(3-acetamidoanilino)-2-oxoethyl]-3-piperidin-1-iumcarboxylate IUPAC Name: (3S)-1-[2-(3-acetamidoanilino)-2-oxoethyl]piperidin-1-ium-3-carboxylate Traditional Name: (3S)-1-[2-(3-acetamidoanilino)-2-keto-ethyl]piperidin-1-ium-3-carboxylate Formula: C16H21N3O4 MolecularWeight: 319.35564

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC(=CC=C1)NC(=O)C[NH+]2CCCC(C2)C(=O)[O-]

Isomeric SMILES

CC(=O)NC1=CC(=CC=C1)NC(=O)C[NH+]2CCC[C@@H](C2)C(=O)[O-]

InChI

InChI=1S/C16H21N3O4/c1-11(20)17-13-5-2-6-14(8-13)18-15(21)10-19-7-3-4-12(9-19)16(22)23/h2,5-6,8,12H,3-4,7,9-10H2,1H3,(H,17,20)(H,18,21)(H,22,23)/t12-/m0/s1