4-[1-(3-morpholin-4-ium-4-ylpropyl)-4-oxidanyl-5-oxidanylidene-3-thiophen-2-ylcarbonyl-2H-pyrrol-2-yl]phenolate

Systemtic Name: 4-[1-(3-morpholin-4-ium-4-ylpropyl)-4-oxidanyl-5-oxidanylidene-3-thiophen-2-ylcarbonyl-2H-pyrrol-2-yl]phenolate Openeye Name: 4-[4-hydroxy-1-(3-morpholin-4-ium-4-ylpropyl)-5-oxo-3-(thiophene-2-carbonyl)-2H-pyrrol-2-yl]phenolate CAS Name: 4-[4-hydroxy-1-[3-(4-morpholin-4-iumyl)propyl]-5-oxo-3-[oxo(thiophen-2-yl)methyl]-2H-pyrrol-2-yl]phenolate IUPAC Name: 4-[4-hydroxy-1-(3-morpholin-4-ium-4-ylpropyl)-5-oxo-3-(thiophene-2-carbonyl)-2H-pyrrol-2-yl]phenolate Traditional Name: 4-[4-hydroxy-5-keto-1-(3-morpholin-4-ium-4-ylpropyl)-3-(2-thenoyl)-3-pyrrolin-2-yl]phenolate Formula: C22H24N2O5S MolecularWeight: 428.50136

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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=C(C=C4)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C22H24N2O5S/c25-16-6-4-15(5-7-16)19-18(20(26)17-3-1-14-30-17)21(27)22(28)24(19)9-2-8-23-10-12-29-13-11-23/h1,3-7,14,19,25,27H,2,8-13H2