1-[2-[(3-acetamidophenyl)amino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxylate

Systemtic Name: 1-[2-[(3-acetamidophenyl)amino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxylate Openeye Name: 1-[2-(3-acetamidoanilino)-2-oxo-ethyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[2-(3-acetamidoanilino)-2-oxoethyl]-4-piperidin-1-iumcarboxylate IUPAC Name: 1-[2-(3-acetamidoanilino)-2-oxoethyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[2-(3-acetamidoanilino)-2-keto-ethyl]piperidin-1-ium-4-carboxylate Formula: C16H21N3O4 MolecularWeight: 319.35564

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC(=CC=C1)NC(=O)C[NH+]2CCC(CC2)C(=O)[O-]

Isomeric SMILES

CC(=O)NC1=CC(=CC=C1)NC(=O)C[NH+]2CCC(CC2)C(=O)[O-]

InChI

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