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

Systemtic Name: 3-(furan-2-ylcarbonyl)-2-(4-methylphenyl)-1-(3-morpholin-4-ium-4-ylpropyl)-5-oxidanylidene-2H-pyrrol-4-olate Openeye Name: 3-(furan-2-carbonyl)-1-(3-morpholin-4-ium-4-ylpropyl)-5-oxo-2-(p-tolyl)-2H-pyrrol-4-olate CAS Name: 3-[2-furanyl(oxo)methyl]-2-(4-methylphenyl)-1-[3-(4-morpholin-4-iumyl)propyl]-5-oxo-2H-pyrrol-4-olate IUPAC Name: 3-(furan-2-carbonyl)-2-(4-methylphenyl)-1-(3-morpholin-4-ium-4-ylpropyl)-5-oxo-2H-pyrrol-4-olate Traditional Name: 4-(2-furoyl)-2-keto-1-(3-morpholin-4-ium-4-ylpropyl)-5-(p-tolyl)-3-pyrrolin-3-olate Formula: C23H26N2O5 MolecularWeight: 410.46294

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2C(=C(C(=O)N2CCC[NH+]3CCOCC3)[O-])C(=O)C4=CC=CO4

Isomeric SMILES

CC1=CC=C(C=C1)C2C(=C(C(=O)N2CCC[NH+]3CCOCC3)[O-])C(=O)C4=CC=CO4

InChI

InChI=1S/C23H26N2O5/c1-16-5-7-17(8-6-16)20-19(21(26)18-4-2-13-30-18)22(27)23(28)25(20)10-3-9-24-11-14-29-15-12-24/h2,4-8,13,20,27H,3,9-12,14-15H2,1H3