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

Systemtic Name: 2-(3-methoxyphenyl)-1-(3-morpholin-4-ium-4-ylpropyl)-5-oxidanylidene-3-thiophen-2-ylcarbonyl-2H-pyrrol-4-olate Openeye Name: 2-(3-methoxyphenyl)-1-(3-morpholin-4-ium-4-ylpropyl)-5-oxo-3-(thiophene-2-carbonyl)-2H-pyrrol-4-olate CAS Name: 2-(3-methoxyphenyl)-1-[3-(4-morpholin-4-iumyl)propyl]-5-oxo-3-[oxo(thiophen-2-yl)methyl]-2H-pyrrol-4-olate IUPAC Name: 2-(3-methoxyphenyl)-1-(3-morpholin-4-ium-4-ylpropyl)-5-oxo-3-(thiophene-2-carbonyl)-2H-pyrrol-4-olate Traditional Name: 2-keto-5-(3-methoxyphenyl)-1-(3-morpholin-4-ium-4-ylpropyl)-4-(2-thenoyl)-3-pyrrolin-3-olate Formula: C23H26N2O5S MolecularWeight: 442.52794

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H26N2O5S/c1-29-17-6-2-5-16(15-17)20-19(21(26)18-7-3-14-31-18)22(27)23(28)25(20)9-4-8-24-10-12-30-13-11-24/h2-3,5-7,14-15,20,27H,4,8-13H2,1H3