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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(O1)C(=O)C2=C(C(=O)N(C2C3=CC=C(C=C3)OC(C)C)CCC[NH+]4CCOCC4)[O-]

Isomeric SMILES

CC1=CC=C(O1)C(=O)C2=C(C(=O)N(C2C3=CC=C(C=C3)OC(C)C)CCC[NH+]4CCOCC4)[O-]

InChI

InChI=1S/C26H32N2O6/c1-17(2)33-20-8-6-19(7-9-20)23-22(24(29)21-10-5-18(3)34-21)25(30)26(31)28(23)12-4-11-27-13-15-32-16-14-27/h5-10,17,23,30H,4,11-16H2,1-3H3