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

Systemtic Name: 1-(2-morpholin-4-ium-4-ylethyl)-5-oxidanylidene-2-pyridin-4-yl-3-thiophen-2-ylcarbonyl-2H-pyrrol-4-olate Openeye Name: 1-(2-morpholin-4-ium-4-ylethyl)-5-oxo-2-(4-pyridyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-4-olate CAS Name: 1-[2-(4-morpholin-4-iumyl)ethyl]-5-oxo-3-[oxo(thiophen-2-yl)methyl]-2-pyridin-4-yl-2H-pyrrol-4-olate IUPAC Name: 1-(2-morpholin-4-ium-4-ylethyl)-5-oxo-2-pyridin-4-yl-3-(thiophene-2-carbonyl)-2H-pyrrol-4-olate Traditional Name: 2-keto-1-(2-morpholin-4-ium-4-ylethyl)-5-(4-pyridyl)-4-(2-thenoyl)-3-pyrrolin-3-olate Formula: C20H21N3O4S MolecularWeight: 399.46344

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCN2C(C(=C(C2=O)[O-])C(=O)C3=CC=CS3)C4=CC=NC=C4

Isomeric SMILES

C1COCC[NH+]1CCN2C(C(=C(C2=O)[O-])C(=O)C3=CC=CS3)C4=CC=NC=C4

InChI

InChI=1S/C20H21N3O4S/c24-18(15-2-1-13-28-15)16-17(14-3-5-21-6-4-14)23(20(26)19(16)25)8-7-22-9-11-27-12-10-22/h1-6,13,17,25H,7-12H2