1-(3-morpholin-4-ium-4-ylpropyl)-4-oxidanyl-2-pyridin-1-ium-3-yl-3-thiophen-2-ylcarbonyl-2H-pyrrol-5-one

Systemtic Name: 1-(3-morpholin-4-ium-4-ylpropyl)-4-oxidanyl-2-pyridin-1-ium-3-yl-3-thiophen-2-ylcarbonyl-2H-pyrrol-5-one Openeye Name: 4-hydroxy-1-(3-morpholin-4-ium-4-ylpropyl)-2-pyridin-1-ium-3-yl-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one CAS Name: 4-hydroxy-1-[3-(4-morpholin-4-iumyl)propyl]-3-[oxo(thiophen-2-yl)methyl]-2-(3-pyridin-1-iumyl)-2H-pyrrol-5-one IUPAC Name: 4-hydroxy-1-(3-morpholin-4-ium-4-ylpropyl)-2-pyridin-1-ium-3-yl-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one Traditional Name: 3-hydroxy-1-(3-morpholin-4-ium-4-ylpropyl)-5-pyridin-1-ium-3-yl-4-(2-thenoyl)-3-pyrrolin-2-one Formula: C21H25N3O4S+2 MolecularWeight: 415.5059

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCCN2C(C(=C(C2=O)O)C(=O)C3=CC=CS3)C4=C[NH+]=CC=C4

Isomeric SMILES

C1COCC[NH+]1CCCN2C(C(=C(C2=O)O)C(=O)C3=CC=CS3)C4=C[NH+]=CC=C4

InChI

InChI=1S/C21H23N3O4S/c25-19(16-5-2-13-29-16)17-18(15-4-1-6-22-14-15)24(21(27)20(17)26)8-3-7-23-9-11-28-12-10-23/h1-2,4-6,13-14,18,26H,3,7-12H2/p+2