[2-oxidanylidene-2-(thiophen-2-ylmethylcarbamoylamino)ethyl] 2-morpholin-4-ylpyridin-1-ium-3-carboxylate

Systemtic Name: [2-oxidanylidene-2-(thiophen-2-ylmethylcarbamoylamino)ethyl] 2-morpholin-4-ylpyridin-1-ium-3-carboxylate Openeye Name: [2-oxo-2-(2-thienylmethylcarbamoylamino)ethyl] 2-morpholinopyridin-1-ium-3-carboxylate CAS Name: 2-(4-morpholinyl)-3-pyridin-1-iumcarboxylic acid [2-oxo-2-[[oxo-(thiophen-2-ylmethylamino)methyl]amino]ethyl] ester IUPAC Name: [2-oxo-2-(thiophen-2-ylmethylcarbamoylamino)ethyl] 2-morpholin-4-ylpyridin-1-ium-3-carboxylate Traditional Name: 2-morpholinopyridin-1-ium-3-carboxylic acid [2-keto-2-(2-thenylcarbamoylamino)ethyl] ester Formula: C18H21N4O5S+ MolecularWeight: 405.44814

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=C(C=CC=[NH+]2)C(=O)OCC(=O)NC(=O)NCC3=CC=CS3

Isomeric SMILES

C1COCCN1C2=C(C=CC=[NH+]2)C(=O)OCC(=O)NC(=O)NCC3=CC=CS3

InChI

InChI=1S/C18H20N4O5S/c23-15(21-18(25)20-11-13-3-2-10-28-13)12-27-17(24)14-4-1-5-19-16(14)22-6-8-26-9-7-22/h1-5,10H,6-9,11-12H2,(H2,20,21,23,25)/p+1