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

Systemtic Name: ethyl 4-[2-oxidanylidene-2-(propylcarbamoylamino)ethyl]piperazin-4-ium-1-carboxylate Openeye Name: ethyl 4-[2-oxo-2-(propylcarbamoylamino)ethyl]piperazin-4-ium-1-carboxylate CAS Name: 4-[2-oxo-2-[[oxo(propylamino)methyl]amino]ethyl]-1-piperazin-4-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-oxo-2-(propylcarbamoylamino)ethyl]piperazin-4-ium-1-carboxylate Traditional Name: 4-[2-keto-2-(propylcarbamoylamino)ethyl]piperazin-4-ium-1-carboxylic acid ethyl ester Formula: C13H25N4O4+ MolecularWeight: 301.362

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)NC(=O)C[NH+]1CCN(CC1)C(=O)OCC

Isomeric SMILES

CCCNC(=O)NC(=O)C[NH+]1CCN(CC1)C(=O)OCC

InChI

InChI=1S/C13H24N4O4/c1-3-5-14-12(19)15-11(18)10-16-6-8-17(9-7-16)13(20)21-4-2/h3-10H2,1-2H3,(H2,14,15,18,19)/p+1