4-(furan-2-ylcarbonyl)-1-(3-morpholin-4-ium-4-ylpropyl)-5-pyridin-1-ium-3-yl-pyrrolidine-2,3-dione

Systemtic Name: 4-(furan-2-ylcarbonyl)-1-(3-morpholin-4-ium-4-ylpropyl)-5-pyridin-1-ium-3-yl-pyrrolidine-2,3-dione Openeye Name: 4-(furan-2-carbonyl)-1-(3-morpholin-4-ium-4-ylpropyl)-5-pyridin-1-ium-3-yl-pyrrolidine-2,3-dione CAS Name: 4-[2-furanyl(oxo)methyl]-1-[3-(4-morpholin-4-iumyl)propyl]-5-(3-pyridin-1-iumyl)pyrrolidine-2,3-dione IUPAC Name: 4-(furan-2-carbonyl)-1-(3-morpholin-4-ium-4-ylpropyl)-5-pyridin-1-ium-3-ylpyrrolidine-2,3-dione Traditional Name: 4-(2-furoyl)-1-(3-morpholin-4-ium-4-ylpropyl)-5-pyridin-1-ium-3-yl-pyrrolidine-2,3-quinone Formula: C21H25N3O5+2 MolecularWeight: 399.4403

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C1COCC[NH+]1CCCN2C(C(C(=O)C2=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/h1-2,4-6,11,14,17-18H,3,7-10,12-13H2/p+2