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

Systemtic Name: 3-(5-methylfuran-2-yl)carbonyl-1-(3-morpholin-4-ium-4-ylpropyl)-5-oxidanylidene-2-pyridin-2-yl-2H-pyrrol-4-olate Openeye Name: 3-(5-methylfuran-2-carbonyl)-1-(3-morpholin-4-ium-4-ylpropyl)-5-oxo-2-(2-pyridyl)-2H-pyrrol-4-olate CAS Name: 3-[(5-methyl-2-furanyl)-oxomethyl]-1-[3-(4-morpholin-4-iumyl)propyl]-5-oxo-2-(2-pyridinyl)-2H-pyrrol-4-olate IUPAC Name: 3-(5-methylfuran-2-carbonyl)-1-(3-morpholin-4-ium-4-ylpropyl)-5-oxo-2-pyridin-2-yl-2H-pyrrol-4-olate Traditional Name: 2-keto-4-(5-methyl-2-furoyl)-1-(3-morpholin-4-ium-4-ylpropyl)-5-(2-pyridyl)-3-pyrrolin-3-olate Formula: C22H25N3O5 MolecularWeight: 411.451

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(O1)C(=O)C2=C(C(=O)N(C2C3=CC=CC=N3)CCC[NH+]4CCOCC4)[O-]

Isomeric SMILES

CC1=CC=C(O1)C(=O)C2=C(C(=O)N(C2C3=CC=CC=N3)CCC[NH+]4CCOCC4)[O-]

InChI

InChI=1S/C22H25N3O5/c1-15-6-7-17(30-15)20(26)18-19(16-5-2-3-8-23-16)25(22(28)21(18)27)10-4-9-24-11-13-29-14-12-24/h2-3,5-8,19,27H,4,9-14H2,1H3