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

Systemtic Name: methyl 1-[2-oxidanylidene-2-[(4-propoxycarbonylphenyl)amino]ethyl]piperidin-1-ium-4-carboxylate Openeye Name: methyl 1-[2-oxo-2-(4-propoxycarbonylanilino)ethyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[2-oxo-2-[4-[oxo(propoxy)methyl]anilino]ethyl]-4-piperidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl 1-[2-oxo-2-(4-propoxycarbonylanilino)ethyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[2-keto-2-(4-propoxycarbonylanilino)ethyl]piperidin-1-ium-4-carboxylic acid methyl ester Formula: C19H27N2O5+ MolecularWeight: 363.42808

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H26N2O5/c1-3-12-26-19(24)14-4-6-16(7-5-14)20-17(22)13-21-10-8-15(9-11-21)18(23)25-2/h4-7,15H,3,8-13H2,1-2H3,(H,20,22)/p+1