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

Systemtic Name: 3-(furan-2-ylcarbonyl)-1-(3-morpholin-4-ium-4-ylpropyl)-4-oxidanyl-2-pyridin-1-ium-3-yl-2H-pyrrol-5-one Openeye Name: 3-(furan-2-carbonyl)-4-hydroxy-1-(3-morpholin-4-ium-4-ylpropyl)-2-pyridin-1-ium-3-yl-2H-pyrrol-5-one CAS Name: 3-[2-furanyl(oxo)methyl]-4-hydroxy-1-[3-(4-morpholin-4-iumyl)propyl]-2-(3-pyridin-1-iumyl)-2H-pyrrol-5-one IUPAC Name: 3-(furan-2-carbonyl)-4-hydroxy-1-(3-morpholin-4-ium-4-ylpropyl)-2-pyridin-1-ium-3-yl-2H-pyrrol-5-one Traditional Name: 4-(2-furoyl)-3-hydroxy-1-(3-morpholin-4-ium-4-ylpropyl)-5-pyridin-1-ium-3-yl-3-pyrrolin-2-one Formula: C21H25N3O5+2 MolecularWeight: 399.4403

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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