4-[3-(furan-2-ylcarbonyl)-1-(3-morpholin-4-ium-4-ylpropyl)-4-oxidanyl-5-oxidanylidene-2H-pyrrol-2-yl]-2-methoxy-phenolate

Systemtic Name: 4-[3-(furan-2-ylcarbonyl)-1-(3-morpholin-4-ium-4-ylpropyl)-4-oxidanyl-5-oxidanylidene-2H-pyrrol-2-yl]-2-methoxy-phenolate Openeye Name: 4-[3-(furan-2-carbonyl)-4-hydroxy-1-(3-morpholin-4-ium-4-ylpropyl)-5-oxo-2H-pyrrol-2-yl]-2-methoxy-phenolate CAS Name: 4-[3-[2-furanyl(oxo)methyl]-4-hydroxy-1-[3-(4-morpholin-4-iumyl)propyl]-5-oxo-2H-pyrrol-2-yl]-2-methoxyphenolate IUPAC Name: 4-[3-(furan-2-carbonyl)-4-hydroxy-1-(3-morpholin-4-ium-4-ylpropyl)-5-oxo-2H-pyrrol-2-yl]-2-methoxyphenolate Traditional Name: 4-[3-(2-furoyl)-4-hydroxy-5-keto-1-(3-morpholin-4-ium-4-ylpropyl)-3-pyrrolin-2-yl]-2-methoxy-phenolate Formula: C23H26N2O7 MolecularWeight: 442.46174

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C2C(=C(C(=O)N2CCC[NH+]3CCOCC3)O)C(=O)C4=CC=CO4)[O-]

Isomeric SMILES

COC1=C(C=CC(=C1)C2C(=C(C(=O)N2CCC[NH+]3CCOCC3)O)C(=O)C4=CC=CO4)[O-]

InChI

InChI=1S/C23H26N2O7/c1-30-18-14-15(5-6-16(18)26)20-19(21(27)17-4-2-11-32-17)22(28)23(29)25(20)8-3-7-24-9-12-31-13-10-24/h2,4-6,11,14,20,26,28H,3,7-10,12-13H2,1H3