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

Systemtic Name: 3-(5-methylfuran-2-yl)carbonyl-1-(2-morpholin-4-ium-4-ylethyl)-5-oxidanylidene-2-(3-propoxyphenyl)-2H-pyrrol-4-olate Openeye Name: 3-(5-methylfuran-2-carbonyl)-1-(2-morpholin-4-ium-4-ylethyl)-5-oxo-2-(3-propoxyphenyl)-2H-pyrrol-4-olate CAS Name: 3-[(5-methyl-2-furanyl)-oxomethyl]-1-[2-(4-morpholin-4-iumyl)ethyl]-5-oxo-2-(3-propoxyphenyl)-2H-pyrrol-4-olate IUPAC Name: 3-(5-methylfuran-2-carbonyl)-1-(2-morpholin-4-ium-4-ylethyl)-5-oxo-2-(3-propoxyphenyl)-2H-pyrrol-4-olate Traditional Name: 2-keto-4-(5-methyl-2-furoyl)-1-(2-morpholin-4-ium-4-ylethyl)-5-(3-propoxyphenyl)-3-pyrrolin-3-olate Formula: C25H30N2O6 MolecularWeight: 454.5155

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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=C(O4)C

Isomeric SMILES

CCCOC1=CC=CC(=C1)C2C(=C(C(=O)N2CC[NH+]3CCOCC3)[O-])C(=O)C4=CC=C(O4)C

InChI

InChI=1S/C25H30N2O6/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/h4-8,16,22,29H,3,9-15H2,1-2H3