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

Systemtic Name: 2-(2,5-dimethoxyphenyl)-1-(3-morpholin-4-ium-4-ylpropyl)-5-oxidanylidene-3-thiophen-2-ylcarbonyl-2H-pyrrol-4-olate Openeye Name: 2-(2,5-dimethoxyphenyl)-1-(3-morpholin-4-ium-4-ylpropyl)-5-oxo-3-(thiophene-2-carbonyl)-2H-pyrrol-4-olate CAS Name: 2-(2,5-dimethoxyphenyl)-1-[3-(4-morpholin-4-iumyl)propyl]-5-oxo-3-[oxo(thiophen-2-yl)methyl]-2H-pyrrol-4-olate IUPAC Name: 2-(2,5-dimethoxyphenyl)-1-(3-morpholin-4-ium-4-ylpropyl)-5-oxo-3-(thiophene-2-carbonyl)-2H-pyrrol-4-olate Traditional Name: 5-(2,5-dimethoxyphenyl)-2-keto-1-(3-morpholin-4-ium-4-ylpropyl)-4-(2-thenoyl)-3-pyrrolin-3-olate Formula: C24H28N2O6S MolecularWeight: 472.55392

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H28N2O6S/c1-30-16-6-7-18(31-2)17(15-16)21-20(22(27)19-5-3-14-33-19)23(28)24(29)26(21)9-4-8-25-10-12-32-13-11-25/h3,5-7,14-15,21,28H,4,8-13H2,1-2H3