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

Systemtic Name: 1-(3-morpholin-4-ium-4-ylpropyl)-5-oxidanylidene-2-pyridin-4-yl-3-thiophen-2-ylcarbonyl-2H-pyrrol-4-olate Openeye Name: 1-(3-morpholin-4-ium-4-ylpropyl)-5-oxo-2-(4-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-pyridin-4-yl-2H-pyrrol-4-olate IUPAC Name: 1-(3-morpholin-4-ium-4-ylpropyl)-5-oxo-2-pyridin-4-yl-3-(thiophene-2-carbonyl)-2H-pyrrol-4-olate Traditional Name: 2-keto-1-(3-morpholin-4-ium-4-ylpropyl)-5-(4-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=CC=NC=C4

Isomeric SMILES

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

InChI

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