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

Systemtic Name: 2-(3,4-dimethoxyphenyl)-1-(2-morpholin-4-ium-4-ylethyl)-5-oxidanylidene-3-thiophen-2-ylcarbonyl-2H-pyrrol-4-olate Openeye Name: 2-(3,4-dimethoxyphenyl)-1-(2-morpholin-4-ium-4-ylethyl)-5-oxo-3-(thiophene-2-carbonyl)-2H-pyrrol-4-olate CAS Name: 2-(3,4-dimethoxyphenyl)-1-[2-(4-morpholin-4-iumyl)ethyl]-5-oxo-3-[oxo(thiophen-2-yl)methyl]-2H-pyrrol-4-olate IUPAC Name: 2-(3,4-dimethoxyphenyl)-1-(2-morpholin-4-ium-4-ylethyl)-5-oxo-3-(thiophene-2-carbonyl)-2H-pyrrol-4-olate Traditional Name: 5-(3,4-dimethoxyphenyl)-2-keto-1-(2-morpholin-4-ium-4-ylethyl)-4-(2-thenoyl)-3-pyrrolin-3-olate Formula: C23H26N2O6S MolecularWeight: 458.52734

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2C(=C(C(=O)N2CC[NH+]3CCOCC3)[O-])C(=O)C4=CC=CS4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2C(=C(C(=O)N2CC[NH+]3CCOCC3)[O-])C(=O)C4=CC=CS4)OC

InChI

InChI=1S/C23H26N2O6S/c1-29-16-6-5-15(14-17(16)30-2)20-19(21(26)18-4-3-13-32-18)22(27)23(28)25(20)8-7-24-9-11-31-12-10-24/h3-6,13-14,20,27H,7-12H2,1-2H3