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

Systemtic Name: ethyl 4-[2-oxidanylidene-2-[(4-propoxycarbonylphenyl)amino]ethyl]piperazin-4-ium-1-carboxylate Openeye Name: ethyl 4-[2-oxo-2-(4-propoxycarbonylanilino)ethyl]piperazin-4-ium-1-carboxylate CAS Name: 4-[2-oxo-2-[4-[oxo(propoxy)methyl]anilino]ethyl]-1-piperazin-4-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-oxo-2-(4-propoxycarbonylanilino)ethyl]piperazin-4-ium-1-carboxylate Traditional Name: 4-[2-keto-2-(4-propoxycarbonylanilino)ethyl]piperazin-4-ium-1-carboxylic acid ethyl ester Formula: C19H28N3O5+ MolecularWeight: 378.44272

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1=CC=C(C=C1)NC(=O)C[NH+]2CCN(CC2)C(=O)OCC

Isomeric SMILES

CCCOC(=O)C1=CC=C(C=C1)NC(=O)C[NH+]2CCN(CC2)C(=O)OCC

InChI

InChI=1S/C19H27N3O5/c1-3-13-27-18(24)15-5-7-16(8-6-15)20-17(23)14-21-9-11-22(12-10-21)19(25)26-4-2/h5-8H,3-4,9-14H2,1-2H3,(H,20,23)/p+1