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

Systemtic Name: 3-(5-methylfuran-2-yl)carbonyl-5-oxidanylidene-2-(4-propoxyphenyl)-1-(pyridin-1-ium-3-ylmethyl)-2H-pyrrol-4-olate Openeye Name: 3-(5-methylfuran-2-carbonyl)-5-oxo-2-(4-propoxyphenyl)-1-(pyridin-1-ium-3-ylmethyl)-2H-pyrrol-4-olate CAS Name: 3-[(5-methyl-2-furanyl)-oxomethyl]-5-oxo-2-(4-propoxyphenyl)-1-(3-pyridin-1-iumylmethyl)-2H-pyrrol-4-olate IUPAC Name: 3-(5-methylfuran-2-carbonyl)-5-oxo-2-(4-propoxyphenyl)-1-(pyridin-1-ium-3-ylmethyl)-2H-pyrrol-4-olate Traditional Name: 2-keto-4-(5-methyl-2-furoyl)-5-(4-propoxyphenyl)-1-(pyridin-1-ium-3-ylmethyl)-3-pyrrolin-3-olate Formula: C25H24N2O5 MolecularWeight: 432.46846

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C2C(=C(C(=O)N2CC3=C[NH+]=CC=C3)[O-])C(=O)C4=CC=C(O4)C

Isomeric SMILES

CCCOC1=CC=C(C=C1)C2C(=C(C(=O)N2CC3=C[NH+]=CC=C3)[O-])C(=O)C4=CC=C(O4)C

InChI

InChI=1S/C25H24N2O5/c1-3-13-31-19-9-7-18(8-10-19)22-21(23(28)20-11-6-16(2)32-20)24(29)25(30)27(22)15-17-5-4-12-26-14-17/h4-12,14,22,29H,3,13,15H2,1-2H3