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

Systemtic Name: 4-[(4-chlorophenyl)-oxidanyl-methylidene]-1-[3-(1H-imidazol-3-ium-3-yl)propyl]-5-pyridin-1-ium-3-yl-pyrrolidine-2,3-dione Openeye Name: 4-[(4-chlorophenyl)-hydroxy-methylene]-1-[3-(1H-imidazol-3-ium-3-yl)propyl]-5-pyridin-1-ium-3-yl-pyrrolidine-2,3-dione CAS Name: 4-[(4-chlorophenyl)-hydroxymethylidene]-1-[3-(1H-imidazol-3-ium-3-yl)propyl]-5-(3-pyridin-1-iumyl)pyrrolidine-2,3-dione IUPAC Name: 4-[(4-chlorophenyl)-hydroxymethylidene]-1-[3-(1H-imidazol-3-ium-3-yl)propyl]-5-pyridin-1-ium-3-ylpyrrolidine-2,3-dione Traditional Name: 4-[(4-chlorophenyl)-hydroxy-methylene]-1-[3-(1H-imidazol-3-ium-3-yl)propyl]-5-pyridin-1-ium-3-yl-pyrrolidine-2,3-quinone Formula: C22H21ClN4O3+2 MolecularWeight: 424.88014

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C[NH+]=C1)C2C(=C(C3=CC=C(C=C3)Cl)O)C(=O)C(=O)N2CCC[N+]4=CNC=C4

Isomeric SMILES

C1=CC(=C[NH+]=C1)C2C(=C(C3=CC=C(C=C3)Cl)O)C(=O)C(=O)N2CCC[N+]4=CNC=C4

InChI

InChI=1S/C22H19ClN4O3/c23-17-6-4-15(5-7-17)20(28)18-19(16-3-1-8-24-13-16)27(22(30)21(18)29)11-2-10-26-12-9-25-14-26/h1,3-9,12-14,19H,2,10-11H2,(H,28,29)/p+2