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

Systemtic Name: 2-(3,4-diethoxyphenyl)-3-(furan-2-ylcarbonyl)-1-(3-morpholin-4-ium-4-ylpropyl)-5-oxidanylidene-2H-pyrrol-4-olate Openeye Name: 2-(3,4-diethoxyphenyl)-3-(furan-2-carbonyl)-1-(3-morpholin-4-ium-4-ylpropyl)-5-oxo-2H-pyrrol-4-olate CAS Name: 2-(3,4-diethoxyphenyl)-3-[2-furanyl(oxo)methyl]-1-[3-(4-morpholin-4-iumyl)propyl]-5-oxo-2H-pyrrol-4-olate IUPAC Name: 2-(3,4-diethoxyphenyl)-3-(furan-2-carbonyl)-1-(3-morpholin-4-ium-4-ylpropyl)-5-oxo-2H-pyrrol-4-olate Traditional Name: 5-(3,4-diethoxyphenyl)-4-(2-furoyl)-2-keto-1-(3-morpholin-4-ium-4-ylpropyl)-3-pyrrolin-3-olate Formula: C26H32N2O7 MolecularWeight: 484.54148

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C2C(=C(C(=O)N2CCC[NH+]3CCOCC3)[O-])C(=O)C4=CC=CO4)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C2C(=C(C(=O)N2CCC[NH+]3CCOCC3)[O-])C(=O)C4=CC=CO4)OCC

InChI

InChI=1S/C26H32N2O7/c1-3-33-19-9-8-18(17-21(19)34-4-2)23-22(24(29)20-7-5-14-35-20)25(30)26(31)28(23)11-6-10-27-12-15-32-16-13-27/h5,7-9,14,17,23,30H,3-4,6,10-13,15-16H2,1-2H3