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

Systemtic Name: ethyl 4-[2-oxidanylidene-2-(thiophen-2-ylmethylcarbamoylamino)ethyl]piperazin-4-ium-1-carboxylate Openeye Name: ethyl 4-[2-oxo-2-(2-thienylmethylcarbamoylamino)ethyl]piperazin-4-ium-1-carboxylate CAS Name: 4-[2-oxo-2-[[oxo-(thiophen-2-ylmethylamino)methyl]amino]ethyl]-1-piperazin-4-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-oxo-2-(thiophen-2-ylmethylcarbamoylamino)ethyl]piperazin-4-ium-1-carboxylate Traditional Name: 4-[2-keto-2-(2-thenylcarbamoylamino)ethyl]piperazin-4-ium-1-carboxylic acid ethyl ester Formula: C15H23N4O4S+ MolecularWeight: 355.43252

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CC[NH+](CC1)CC(=O)NC(=O)NCC2=CC=CS2

Isomeric SMILES

CCOC(=O)N1CC[NH+](CC1)CC(=O)NC(=O)NCC2=CC=CS2

InChI

InChI=1S/C15H22N4O4S/c1-2-23-15(22)19-7-5-18(6-8-19)11-13(20)17-14(21)16-10-12-4-3-9-24-12/h3-4,9H,2,5-8,10-11H2,1H3,(H2,16,17,20,21)/p+1