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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CC[NH+](CC1)CC(=O)NC2=CC=C(C=C2)C(=O)OC(C)C

Isomeric SMILES

CCOC(=O)N1CC[NH+](CC1)CC(=O)NC2=CC=C(C=C2)C(=O)OC(C)C

InChI

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