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

Systemtic Name: 3-(furan-2-ylcarbonyl)-1-(3-morpholin-4-ium-4-ylpropyl)-5-oxidanylidene-2-thiophen-2-yl-2H-pyrrol-4-olate Openeye Name: 3-(furan-2-carbonyl)-1-(3-morpholin-4-ium-4-ylpropyl)-5-oxo-2-(2-thienyl)-2H-pyrrol-4-olate CAS Name: 3-[2-furanyl(oxo)methyl]-1-[3-(4-morpholin-4-iumyl)propyl]-5-oxo-2-thiophen-2-yl-2H-pyrrol-4-olate IUPAC Name: 3-(furan-2-carbonyl)-1-(3-morpholin-4-ium-4-ylpropyl)-5-oxo-2-thiophen-2-yl-2H-pyrrol-4-olate Traditional Name: 4-(2-furoyl)-2-keto-1-(3-morpholin-4-ium-4-ylpropyl)-5-(2-thienyl)-3-pyrrolin-3-olate Formula: C20H22N2O5S MolecularWeight: 402.46408

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCCN2C(C(=C(C2=O)[O-])C(=O)C3=CC=CO3)C4=CC=CS4

Isomeric SMILES

C1COCC[NH+]1CCCN2C(C(=C(C2=O)[O-])C(=O)C3=CC=CO3)C4=CC=CS4

InChI

InChI=1S/C20H22N2O5S/c23-18(14-4-1-10-27-14)16-17(15-5-2-13-28-15)22(20(25)19(16)24)7-3-6-21-8-11-26-12-9-21/h1-2,4-5,10,13,17,24H,3,6-9,11-12H2