ethyl 4-[(1S)-2-(ethylcarbamoylamino)-2-oxidanylidene-1-phenyl-ethyl]piperazin-4-ium-1-carboxylate

Systemtic Name: ethyl 4-[(1S)-2-(ethylcarbamoylamino)-2-oxidanylidene-1-phenyl-ethyl]piperazin-4-ium-1-carboxylate Openeye Name: ethyl 4-[(1S)-2-(ethylcarbamoylamino)-2-oxo-1-phenyl-ethyl]piperazin-4-ium-1-carboxylate CAS Name: 4-[(1S)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl]-1-piperazin-4-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(1S)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl]piperazin-4-ium-1-carboxylate Traditional Name: 4-[(1S)-2-(ethylcarbamoylamino)-2-keto-1-phenyl-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)NC(=O)C(C1=CC=CC=C1)[NH+]2CCN(CC2)C(=O)OCC

Isomeric SMILES

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

InChI

InChI=1S/C18H26N4O4/c1-3-19-17(24)20-16(23)15(14-8-6-5-7-9-14)21-10-12-22(13-11-21)18(25)26-4-2/h5-9,15H,3-4,10-13H2,1-2H3,(H2,19,20,23,24)/p+1/t15-/m0/s1