[2-[(3-aminocarbonylthiophen-2-yl)amino]-2-oxidanylidene-ethyl] 2-morpholin-4-ylpyridin-1-ium-3-carboxylate

Systemtic Name: [2-[(3-aminocarbonylthiophen-2-yl)amino]-2-oxidanylidene-ethyl] 2-morpholin-4-ylpyridin-1-ium-3-carboxylate Openeye Name: [2-[(3-carbamoyl-2-thienyl)amino]-2-oxo-ethyl] 2-morpholinopyridin-1-ium-3-carboxylate CAS Name: 2-(4-morpholinyl)-3-pyridin-1-iumcarboxylic acid [2-[(3-carbamoyl-2-thiophenyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 2-morpholin-4-ylpyridin-1-ium-3-carboxylate Traditional Name: 2-morpholinopyridin-1-ium-3-carboxylic acid [2-[(3-carbamoyl-2-thienyl)amino]-2-keto-ethyl] ester Formula: C17H19N4O5S+ MolecularWeight: 391.42156

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=C(C=CC=[NH+]2)C(=O)OCC(=O)NC3=C(C=CS3)C(=O)N

Isomeric SMILES

C1COCCN1C2=C(C=CC=[NH+]2)C(=O)OCC(=O)NC3=C(C=CS3)C(=O)N

InChI

InChI=1S/C17H18N4O5S/c18-14(23)11-3-9-27-16(11)20-13(22)10-26-17(24)12-2-1-4-19-15(12)21-5-7-25-8-6-21/h1-4,9H,5-8,10H2,(H2,18,23)(H,20,22)/p+1