[2-[5-(2-morpholin-4-yl-2-oxidanylidene-ethyl)thiophen-2-yl]-2-oxidanylidene-ethyl] 1-oxidanidylpyridin-1-ium-4-carboxylate

Systemtic Name: [2-[5-(2-morpholin-4-yl-2-oxidanylidene-ethyl)thiophen-2-yl]-2-oxidanylidene-ethyl] 1-oxidanidylpyridin-1-ium-4-carboxylate Openeye Name: [2-[5-(2-morpholino-2-oxo-ethyl)-2-thienyl]-2-oxo-ethyl] 1-oxidopyridin-1-ium-4-carboxylate CAS Name: 1-oxido-4-pyridin-1-iumcarboxylic acid [2-[5-[2-(4-morpholinyl)-2-oxoethyl]-2-thiophenyl]-2-oxoethyl] ester IUPAC Name: [2-[5-(2-morpholin-4-yl-2-oxoethyl)thiophen-2-yl]-2-oxoethyl] 1-oxidopyridin-1-ium-4-carboxylate Traditional Name: 1-oxidopyridin-1-ium-4-carboxylic acid [2-keto-2-[5-(2-keto-2-morpholino-ethyl)-2-thienyl]ethyl] ester Formula: C18H18N2O6S MolecularWeight: 390.41032

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C(=O)CC2=CC=C(S2)C(=O)COC(=O)C3=CC=[N+](C=C3)[O-]

Isomeric SMILES

C1COCCN1C(=O)CC2=CC=C(S2)C(=O)COC(=O)C3=CC=[N+](C=C3)[O-]

InChI

InChI=1S/C18H18N2O6S/c21-15(12-26-18(23)13-3-5-20(24)6-4-13)16-2-1-14(27-16)11-17(22)19-7-9-25-10-8-19/h1-6H,7-12H2