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

Systemtic Name: [2-oxidanylidene-2-(thiophen-2-ylmethylcarbamoylamino)ethyl] 2-pyrrolidin-1-ylpyridin-1-ium-3-carboxylate Openeye Name: [2-oxo-2-(2-thienylmethylcarbamoylamino)ethyl] 2-pyrrolidin-1-ylpyridin-1-ium-3-carboxylate CAS Name: 2-(1-pyrrolidinyl)-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-pyrrolidin-1-ylpyridin-1-ium-3-carboxylate Traditional Name: 2-pyrrolidinopyridin-1-ium-3-carboxylic acid [2-keto-2-(2-thenylcarbamoylamino)ethyl] ester Formula: C18H21N4O4S+ MolecularWeight: 389.44874

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=C(C=CC=[NH+]2)C(=O)OCC(=O)NC(=O)NCC3=CC=CS3

Isomeric SMILES

C1CCN(C1)C2=C(C=CC=[NH+]2)C(=O)OCC(=O)NC(=O)NCC3=CC=CS3

InChI

InChI=1S/C18H20N4O4S/c23-15(21-18(25)20-11-13-5-4-10-27-13)12-26-17(24)14-6-3-7-19-16(14)22-8-1-2-9-22/h3-7,10H,1-2,8-9,11-12H2,(H2,20,21,23,25)/p+1