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

Systemtic Name: ethyl 4-[2-[(4-aminocarbonylphenyl)amino]-2-oxidanylidene-ethyl]piperazin-4-ium-1-carboxylate Openeye Name: ethyl 4-[2-(4-carbamoylanilino)-2-oxo-ethyl]piperazin-4-ium-1-carboxylate CAS Name: 4-[2-(4-carbamoylanilino)-2-oxoethyl]-1-piperazin-4-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-(4-carbamoylanilino)-2-oxoethyl]piperazin-4-ium-1-carboxylate Traditional Name: 4-[2-(4-carbamoylanilino)-2-keto-ethyl]piperazin-4-ium-1-carboxylic acid ethyl ester Formula: C16H23N4O4+ MolecularWeight: 335.37822

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22N4O4/c1-2-24-16(23)20-9-7-19(8-10-20)11-14(21)18-13-5-3-12(4-6-13)15(17)22/h3-6H,2,7-11H2,1H3,(H2,17,22)(H,18,21)/p+1