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

Systemtic Name: 5-(1,3-benzodioxol-5-yl)-4-[(4-chlorophenyl)-oxidanyl-methylidene]-1-pyridin-1-ium-3-yl-pyrrolidine-2,3-dione Openeye Name: 5-(1,3-benzodioxol-5-yl)-4-[(4-chlorophenyl)-hydroxy-methylene]-1-pyridin-1-ium-3-yl-pyrrolidine-2,3-dione CAS Name: 5-(1,3-benzodioxol-5-yl)-4-[(4-chlorophenyl)-hydroxymethylidene]-1-(3-pyridin-1-iumyl)pyrrolidine-2,3-dione IUPAC Name: 5-(1,3-benzodioxol-5-yl)-4-[(4-chlorophenyl)-hydroxymethylidene]-1-pyridin-1-ium-3-ylpyrrolidine-2,3-dione Traditional Name: 5-(1,3-benzodioxol-5-yl)-4-[(4-chlorophenyl)-hydroxy-methylene]-1-pyridin-1-ium-3-yl-pyrrolidine-2,3-quinone Formula: C23H16ClN2O5+ MolecularWeight: 435.83654

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C3C(=C(C4=CC=C(C=C4)Cl)O)C(=O)C(=O)N3C5=C[NH+]=CC=C5

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C3C(=C(C4=CC=C(C=C4)Cl)O)C(=O)C(=O)N3C5=C[NH+]=CC=C5

InChI

InChI=1S/C23H15ClN2O5/c24-15-6-3-13(4-7-15)21(27)19-20(14-5-8-17-18(10-14)31-12-30-17)26(23(29)22(19)28)16-2-1-9-25-11-16/h1-11,20,27H,12H2/p+1