ethyl 4-[2-[[3-(ethylcarbamoyl)phenyl]amino]-2-oxidanylidene-ethyl]piperazin-4-ium-1-carboxylate

Systemtic Name: ethyl 4-[2-[[3-(ethylcarbamoyl)phenyl]amino]-2-oxidanylidene-ethyl]piperazin-4-ium-1-carboxylate Openeye Name: ethyl 4-[2-[3-(ethylcarbamoyl)anilino]-2-oxo-ethyl]piperazin-4-ium-1-carboxylate CAS Name: 4-[2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl]-1-piperazin-4-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl]piperazin-4-ium-1-carboxylate Traditional Name: 4-[2-[3-(ethylcarbamoyl)anilino]-2-keto-ethyl]piperazin-4-ium-1-carboxylic acid ethyl ester Formula: C18H27N4O4+ MolecularWeight: 363.43138

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H26N4O4/c1-3-19-17(24)14-6-5-7-15(12-14)20-16(23)13-21-8-10-22(11-9-21)18(25)26-4-2/h5-7,12H,3-4,8-11,13H2,1-2H3,(H,19,24)(H,20,23)/p+1