3-(5-methylfuran-2-yl)carbonyl-1-(3-morpholin-4-ium-4-ylpropyl)-5-oxidanylidene-2-(3-propoxyphenyl)-2H-pyrrol-4-olate

Systemtic Name: 3-(5-methylfuran-2-yl)carbonyl-1-(3-morpholin-4-ium-4-ylpropyl)-5-oxidanylidene-2-(3-propoxyphenyl)-2H-pyrrol-4-olate Openeye Name: 3-(5-methylfuran-2-carbonyl)-1-(3-morpholin-4-ium-4-ylpropyl)-5-oxo-2-(3-propoxyphenyl)-2H-pyrrol-4-olate CAS Name: 3-[(5-methyl-2-furanyl)-oxomethyl]-1-[3-(4-morpholin-4-iumyl)propyl]-5-oxo-2-(3-propoxyphenyl)-2H-pyrrol-4-olate IUPAC Name: 3-(5-methylfuran-2-carbonyl)-1-(3-morpholin-4-ium-4-ylpropyl)-5-oxo-2-(3-propoxyphenyl)-2H-pyrrol-4-olate Traditional Name: 2-keto-4-(5-methyl-2-furoyl)-1-(3-morpholin-4-ium-4-ylpropyl)-5-(3-propoxyphenyl)-3-pyrrolin-3-olate Formula: C26H32N2O6 MolecularWeight: 468.54208

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=CC(=C1)C2C(=C(C(=O)N2CCC[NH+]3CCOCC3)[O-])C(=O)C4=CC=C(O4)C

Isomeric SMILES

CCCOC1=CC=CC(=C1)C2C(=C(C(=O)N2CCC[NH+]3CCOCC3)[O-])C(=O)C4=CC=C(O4)C

InChI

InChI=1S/C26H32N2O6/c1-3-14-33-20-7-4-6-19(17-20)23-22(24(29)21-9-8-18(2)34-21)25(30)26(31)28(23)11-5-10-27-12-15-32-16-13-27/h4,6-9,17,23,30H,3,5,10-16H2,1-2H3