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

Systemtic Name: ethyl 1-[2-[(4-butoxycarbonylphenyl)amino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxylate Openeye Name: ethyl 1-[2-(4-butoxycarbonylanilino)-2-oxo-ethyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[2-[4-[butoxy(oxo)methyl]anilino]-2-oxoethyl]-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-(4-butoxycarbonylanilino)-2-oxoethyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[2-(4-butoxycarbonylanilino)-2-keto-ethyl]piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C21H31N2O5+ MolecularWeight: 391.48124

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)C[NH+]2CCC(CC2)C(=O)OCC

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)C[NH+]2CCC(CC2)C(=O)OCC

InChI

InChI=1S/C21H30N2O5/c1-3-5-14-28-21(26)16-6-8-18(9-7-16)22-19(24)15-23-12-10-17(11-13-23)20(25)27-4-2/h6-9,17H,3-5,10-15H2,1-2H3,(H,22,24)/p+1