4-[1,3-benzodioxol-5-yl(oxidanyl)methylidene]-1-(2-morpholin-4-ium-4-ylethyl)-5-pyridin-4-yl-pyrrolidine-2,3-dione

Systemtic Name: 4-[1,3-benzodioxol-5-yl(oxidanyl)methylidene]-1-(2-morpholin-4-ium-4-ylethyl)-5-pyridin-4-yl-pyrrolidine-2,3-dione Openeye Name: 4-[1,3-benzodioxol-5-yl(hydroxy)methylene]-1-(2-morpholin-4-ium-4-ylethyl)-5-(4-pyridyl)pyrrolidine-2,3-dione CAS Name: 4-[1,3-benzodioxol-5-yl(hydroxy)methylidene]-1-[2-(4-morpholin-4-iumyl)ethyl]-5-pyridin-4-ylpyrrolidine-2,3-dione IUPAC Name: 4-[1,3-benzodioxol-5-yl(hydroxy)methylidene]-1-(2-morpholin-4-ium-4-ylethyl)-5-pyridin-4-ylpyrrolidine-2,3-dione Traditional Name: 4-[1,3-benzodioxol-5-yl(hydroxy)methylene]-1-(2-morpholin-4-ium-4-ylethyl)-5-(4-pyridyl)pyrrolidine-2,3-quinone Formula: C23H24N3O6+ MolecularWeight: 438.45316

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCN2C(C(=C(C3=CC4=C(C=C3)OCO4)O)C(=O)C2=O)C5=CC=NC=C5

Isomeric SMILES

C1COCC[NH+]1CCN2C(C(=C(C3=CC4=C(C=C3)OCO4)O)C(=O)C2=O)C5=CC=NC=C5

InChI

InChI=1S/C23H23N3O6/c27-21(16-1-2-17-18(13-16)32-14-31-17)19-20(15-3-5-24-6-4-15)26(23(29)22(19)28)8-7-25-9-11-30-12-10-25/h1-6,13,20,27H,7-12,14H2/p+1