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

Systemtic Name: 4-[1,3-benzodioxol-5-yl(oxidanyl)methylidene]-1-(pyridin-1-ium-3-ylmethyl)-5-pyridin-2-yl-pyrrolidine-2,3-dione Openeye Name: 4-[1,3-benzodioxol-5-yl(hydroxy)methylene]-1-(pyridin-1-ium-3-ylmethyl)-5-(2-pyridyl)pyrrolidine-2,3-dione CAS Name: 4-[1,3-benzodioxol-5-yl(hydroxy)methylidene]-1-(3-pyridin-1-iumylmethyl)-5-(2-pyridinyl)pyrrolidine-2,3-dione IUPAC Name: 4-[1,3-benzodioxol-5-yl(hydroxy)methylidene]-1-(pyridin-1-ium-3-ylmethyl)-5-pyridin-2-ylpyrrolidine-2,3-dione Traditional Name: 4-[1,3-benzodioxol-5-yl(hydroxy)methylene]-1-(pyridin-1-ium-3-ylmethyl)-5-(2-pyridyl)pyrrolidine-2,3-quinone Formula: C23H18N3O5+ MolecularWeight: 416.40612

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C(=C3C(N(C(=O)C3=O)CC4=C[NH+]=CC=C4)C5=CC=CC=N5)O

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C(=C3C(N(C(=O)C3=O)CC4=C[NH+]=CC=C4)C5=CC=CC=N5)O

InChI

InChI=1S/C23H17N3O5/c27-21(15-6-7-17-18(10-15)31-13-30-17)19-20(16-5-1-2-9-25-16)26(23(29)22(19)28)12-14-4-3-8-24-11-14/h1-11,20,27H,12-13H2/p+1