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

Systemtic Name: 3-(furan-2-ylcarbonyl)-1-(3-morpholin-4-ium-4-ylpropyl)-5-oxidanylidene-2-pyridin-4-yl-2H-pyrrol-4-olate Openeye Name: 3-(furan-2-carbonyl)-1-(3-morpholin-4-ium-4-ylpropyl)-5-oxo-2-(4-pyridyl)-2H-pyrrol-4-olate CAS Name: 3-[2-furanyl(oxo)methyl]-1-[3-(4-morpholin-4-iumyl)propyl]-5-oxo-2-pyridin-4-yl-2H-pyrrol-4-olate IUPAC Name: 3-(furan-2-carbonyl)-1-(3-morpholin-4-ium-4-ylpropyl)-5-oxo-2-pyridin-4-yl-2H-pyrrol-4-olate Traditional Name: 4-(2-furoyl)-2-keto-1-(3-morpholin-4-ium-4-ylpropyl)-5-(4-pyridyl)-3-pyrrolin-3-olate Formula: C21H23N3O5 MolecularWeight: 397.42442

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCCN2C(C(=C(C2=O)[O-])C(=O)C3=CC=CO3)C4=CC=NC=C4

Isomeric SMILES

C1COCC[NH+]1CCCN2C(C(=C(C2=O)[O-])C(=O)C3=CC=CO3)C4=CC=NC=C4

InChI

InChI=1S/C21H23N3O5/c25-19(16-3-1-12-29-16)17-18(15-4-6-22-7-5-15)24(21(27)20(17)26)9-2-8-23-10-13-28-14-11-23/h1,3-7,12,18,26H,2,8-11,13-14H2