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

Systemtic Name: methyl 1-[2-[(4-acetamidophenyl)amino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxylate Openeye Name: methyl 1-[2-(4-acetamidoanilino)-2-oxo-ethyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[2-(4-acetamidoanilino)-2-oxoethyl]-4-piperidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl 1-[2-(4-acetamidoanilino)-2-oxoethyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[2-(4-acetamidoanilino)-2-keto-ethyl]piperidin-1-ium-4-carboxylic acid methyl ester Formula: C17H24N3O4+ MolecularWeight: 334.39016

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H23N3O4/c1-12(21)18-14-3-5-15(6-4-14)19-16(22)11-20-9-7-13(8-10-20)17(23)24-2/h3-6,13H,7-11H2,1-2H3,(H,18,21)(H,19,22)/p+1