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

Systemtic Name: 2-methoxy-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]-2-methoxy-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]-2-methoxyphenolate IUPAC Name: 4-[4-hydroxy-1-(3-morpholin-4-ium-4-ylpropyl)-5-oxo-3-(thiophene-2-carbonyl)-2H-pyrrol-2-yl]-2-methoxyphenolate Traditional Name: 4-[4-hydroxy-5-keto-1-(3-morpholin-4-ium-4-ylpropyl)-3-(2-thenoyl)-3-pyrrolin-2-yl]-2-methoxy-phenolate Formula: C23H26N2O6S MolecularWeight: 458.52734

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C2C(=C(C(=O)N2CCC[NH+]3CCOCC3)O)C(=O)C4=CC=CS4)[O-]

Isomeric SMILES

COC1=C(C=CC(=C1)C2C(=C(C(=O)N2CCC[NH+]3CCOCC3)O)C(=O)C4=CC=CS4)[O-]

InChI

InChI=1S/C23H26N2O6S/c1-30-17-14-15(5-6-16(17)26)20-19(21(27)18-4-2-13-32-18)22(28)23(29)25(20)8-3-7-24-9-11-31-12-10-24/h2,4-6,13-14,20,26,28H,3,7-12H2,1H3