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

Systemtic Name: 1-[2-(4-acetamidophenyl)-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxylate Openeye Name: 1-[2-(4-acetamidophenyl)-2-oxo-ethyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[2-(4-acetamidophenyl)-2-oxoethyl]-4-piperidin-1-iumcarboxylate IUPAC Name: 1-[2-(4-acetamidophenyl)-2-oxoethyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[2-(4-acetamidophenyl)-2-keto-ethyl]piperidin-1-ium-4-carboxylate Formula: C16H20N2O4 MolecularWeight: 304.341

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H20N2O4/c1-11(19)17-14-4-2-12(3-5-14)15(20)10-18-8-6-13(7-9-18)16(21)22/h2-5,13H,6-10H2,1H3,(H,17,19)(H,21,22)