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

Systemtic Name: 3-(furan-2-ylcarbonyl)-1-(3-morpholin-4-ium-4-ylpropyl)-5-oxidanylidene-2-(3-prop-2-enoxyphenyl)-2H-pyrrol-4-olate Openeye Name: 2-(3-allyloxyphenyl)-3-(furan-2-carbonyl)-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-(3-prop-2-enoxyphenyl)-2H-pyrrol-4-olate IUPAC Name: 3-(furan-2-carbonyl)-1-(3-morpholin-4-ium-4-ylpropyl)-5-oxo-2-(3-prop-2-enoxyphenyl)-2H-pyrrol-4-olate Traditional Name: 5-(3-allyloxyphenyl)-4-(2-furoyl)-2-keto-1-(3-morpholin-4-ium-4-ylpropyl)-3-pyrrolin-3-olate Formula: C25H28N2O6 MolecularWeight: 452.49962

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Descriptors Computed from Structure

Canonical SMILES:

C=CCOC1=CC=CC(=C1)C2C(=C(C(=O)N2CCC[NH+]3CCOCC3)[O-])C(=O)C4=CC=CO4

Isomeric SMILES

C=CCOC1=CC=CC(=C1)C2C(=C(C(=O)N2CCC[NH+]3CCOCC3)[O-])C(=O)C4=CC=CO4

InChI

InChI=1S/C25H28N2O6/c1-2-13-32-19-7-3-6-18(17-19)22-21(23(28)20-8-4-14-33-20)24(29)25(30)27(22)10-5-9-26-11-15-31-16-12-26/h2-4,6-8,14,17,22,29H,1,5,9-13,15-16H2