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

Systemtic Name: ethyl 4-[2-[(4-acetamidophenyl)amino]-2-oxidanylidene-ethyl]piperazin-4-ium-1-carboxylate Openeye Name: ethyl 4-[2-(4-acetamidoanilino)-2-oxo-ethyl]piperazin-4-ium-1-carboxylate CAS Name: 4-[2-(4-acetamidoanilino)-2-oxoethyl]-1-piperazin-4-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-(4-acetamidoanilino)-2-oxoethyl]piperazin-4-ium-1-carboxylate Traditional Name: 4-[2-(4-acetamidoanilino)-2-keto-ethyl]piperazin-4-ium-1-carboxylic acid ethyl ester Formula: C17H25N4O4+ MolecularWeight: 349.4048

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H24N4O4/c1-3-25-17(24)21-10-8-20(9-11-21)12-16(23)19-15-6-4-14(5-7-15)18-13(2)22/h4-7H,3,8-12H2,1-2H3,(H,18,22)(H,19,23)/p+1