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

Systemtic Name: 3-(furan-2-ylcarbonyl)-1-(2-morpholin-4-ium-4-ylethyl)-5-oxidanylidene-2-(3-propoxyphenyl)-2H-pyrrol-4-olate Openeye Name: 3-(furan-2-carbonyl)-1-(2-morpholin-4-ium-4-ylethyl)-5-oxo-2-(3-propoxyphenyl)-2H-pyrrol-4-olate CAS Name: 3-[2-furanyl(oxo)methyl]-1-[2-(4-morpholin-4-iumyl)ethyl]-5-oxo-2-(3-propoxyphenyl)-2H-pyrrol-4-olate IUPAC Name: 3-(furan-2-carbonyl)-1-(2-morpholin-4-ium-4-ylethyl)-5-oxo-2-(3-propoxyphenyl)-2H-pyrrol-4-olate Traditional Name: 4-(2-furoyl)-2-keto-1-(2-morpholin-4-ium-4-ylethyl)-5-(3-propoxyphenyl)-3-pyrrolin-3-olate Formula: C24H28N2O6 MolecularWeight: 440.48892

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=CC(=C1)C2C(=C(C(=O)N2CC[NH+]3CCOCC3)[O-])C(=O)C4=CC=CO4

Isomeric SMILES

CCCOC1=CC=CC(=C1)C2C(=C(C(=O)N2CC[NH+]3CCOCC3)[O-])C(=O)C4=CC=CO4

InChI

InChI=1S/C24H28N2O6/c1-2-12-31-18-6-3-5-17(16-18)21-20(22(27)19-7-4-13-32-19)23(28)24(29)26(21)9-8-25-10-14-30-15-11-25/h3-7,13,16,21,28H,2,8-12,14-15H2,1H3