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

Systemtic Name: 3-(furan-2-ylcarbonyl)-1-(3-morpholin-4-ium-4-ylpropyl)-5-oxidanylidene-2-(4-propan-2-yloxyphenyl)-2H-pyrrol-4-olate Openeye Name: 3-(furan-2-carbonyl)-2-(4-isopropoxyphenyl)-1-(3-morpholin-4-ium-4-ylpropyl)-5-oxo-2H-pyrrol-4-olate CAS Name: 3-[2-furanyl(oxo)methyl]-1-[3-(4-morpholin-4-iumyl)propyl]-5-oxo-2-(4-propan-2-yloxyphenyl)-2H-pyrrol-4-olate IUPAC Name: 3-(furan-2-carbonyl)-1-(3-morpholin-4-ium-4-ylpropyl)-5-oxo-2-(4-propan-2-yloxyphenyl)-2H-pyrrol-4-olate Traditional Name: 4-(2-furoyl)-5-(4-isopropoxyphenyl)-2-keto-1-(3-morpholin-4-ium-4-ylpropyl)-3-pyrrolin-3-olate Formula: C25H30N2O6 MolecularWeight: 454.5155

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=C(C=C1)C2C(=C(C(=O)N2CCC[NH+]3CCOCC3)[O-])C(=O)C4=CC=CO4

Isomeric SMILES

CC(C)OC1=CC=C(C=C1)C2C(=C(C(=O)N2CCC[NH+]3CCOCC3)[O-])C(=O)C4=CC=CO4

InChI

InChI=1S/C25H30N2O6/c1-17(2)33-19-8-6-18(7-9-19)22-21(23(28)20-5-3-14-32-20)24(29)25(30)27(22)11-4-10-26-12-15-31-16-13-26/h3,5-9,14,17,22,29H,4,10-13,15-16H2,1-2H3