3-(5-methylfuran-2-yl)carbonyl-1-(2-morpholin-4-ium-4-ylethyl)-5-oxidanylidene-2-(3-prop-2-enoxyphenyl)-2H-pyrrol-4-olate

Systemtic Name: 3-(5-methylfuran-2-yl)carbonyl-1-(2-morpholin-4-ium-4-ylethyl)-5-oxidanylidene-2-(3-prop-2-enoxyphenyl)-2H-pyrrol-4-olate Openeye Name: 2-(3-allyloxyphenyl)-3-(5-methylfuran-2-carbonyl)-1-(2-morpholin-4-ium-4-ylethyl)-5-oxo-2H-pyrrol-4-olate CAS Name: 3-[(5-methyl-2-furanyl)-oxomethyl]-1-[2-(4-morpholin-4-iumyl)ethyl]-5-oxo-2-(3-prop-2-enoxyphenyl)-2H-pyrrol-4-olate IUPAC Name: 3-(5-methylfuran-2-carbonyl)-1-(2-morpholin-4-ium-4-ylethyl)-5-oxo-2-(3-prop-2-enoxyphenyl)-2H-pyrrol-4-olate Traditional Name: 5-(3-allyloxyphenyl)-2-keto-4-(5-methyl-2-furoyl)-1-(2-morpholin-4-ium-4-ylethyl)-3-pyrrolin-3-olate Formula: C25H28N2O6 MolecularWeight: 452.49962

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(O1)C(=O)C2=C(C(=O)N(C2C3=CC(=CC=C3)OCC=C)CC[NH+]4CCOCC4)[O-]

Isomeric SMILES

CC1=CC=C(O1)C(=O)C2=C(C(=O)N(C2C3=CC(=CC=C3)OCC=C)CC[NH+]4CCOCC4)[O-]

InChI

InChI=1S/C25H28N2O6/c1-3-13-32-19-6-4-5-18(16-19)22-21(23(28)20-8-7-17(2)33-20)24(29)25(30)27(22)10-9-26-11-14-31-15-12-26/h3-8,16,22,29H,1,9-15H2,2H3