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

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

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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)CC[NH+]4CCOCC4)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O5/c1-14-5-6-16(29-14)19(25)17-18(15-4-2-3-7-22-15)24(21(27)20(17)26)9-8-23-10-12-28-13-11-23/h2-7,18,26H,8-13H2,1H3