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

Systemtic Name: 1-(3-morpholin-4-ium-4-ylpropyl)-5-oxidanylidene-2-pyridin-3-yl-3-thiophen-2-ylcarbonyl-2H-pyrrol-4-olate Openeye Name: 1-(3-morpholin-4-ium-4-ylpropyl)-5-oxo-2-(3-pyridyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-4-olate CAS Name: 1-[3-(4-morpholin-4-iumyl)propyl]-5-oxo-3-[oxo(thiophen-2-yl)methyl]-2-(3-pyridinyl)-2H-pyrrol-4-olate IUPAC Name: 1-(3-morpholin-4-ium-4-ylpropyl)-5-oxo-2-pyridin-3-yl-3-(thiophene-2-carbonyl)-2H-pyrrol-4-olate Traditional Name: 2-keto-1-(3-morpholin-4-ium-4-ylpropyl)-5-(3-pyridyl)-4-(2-thenoyl)-3-pyrrolin-3-olate Formula: C21H23N3O4S MolecularWeight: 413.49002

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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