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

Systemtic Name: 4-[(4-chlorophenyl)-oxidanyl-methylidene]-1-(3-morpholin-4-ium-4-ylpropyl)-5-pyridin-1-ium-3-yl-pyrrolidine-2,3-dione Openeye Name: 4-[(4-chlorophenyl)-hydroxy-methylene]-1-(3-morpholin-4-ium-4-ylpropyl)-5-pyridin-1-ium-3-yl-pyrrolidine-2,3-dione CAS Name: 4-[(4-chlorophenyl)-hydroxymethylidene]-1-[3-(4-morpholin-4-iumyl)propyl]-5-(3-pyridin-1-iumyl)pyrrolidine-2,3-dione IUPAC Name: 4-[(4-chlorophenyl)-hydroxymethylidene]-1-(3-morpholin-4-ium-4-ylpropyl)-5-pyridin-1-ium-3-ylpyrrolidine-2,3-dione Traditional Name: 4-[(4-chlorophenyl)-hydroxy-methylene]-1-(3-morpholin-4-ium-4-ylpropyl)-5-pyridin-1-ium-3-yl-pyrrolidine-2,3-quinone Formula: C23H26ClN3O4+2 MolecularWeight: 443.92324

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H24ClN3O4/c24-18-6-4-16(5-7-18)21(28)19-20(17-3-1-8-25-15-17)27(23(30)22(19)29)10-2-9-26-11-13-31-14-12-26/h1,3-8,15,20,28H,2,9-14H2/p+2