4-[(3-chloranyl-4-ethoxy-phenyl)-oxidanyl-methylidene]-1-(3-imidazol-1-ylpropyl)-5-pyridin-1-ium-4-yl-pyrrolidine-2,3-dione

Systemtic Name: 4-[(3-chloranyl-4-ethoxy-phenyl)-oxidanyl-methylidene]-1-(3-imidazol-1-ylpropyl)-5-pyridin-1-ium-4-yl-pyrrolidine-2,3-dione Openeye Name: 4-[(3-chloro-4-ethoxy-phenyl)-hydroxy-methylene]-1-(3-imidazol-1-ylpropyl)-5-pyridin-1-ium-4-yl-pyrrolidine-2,3-dione CAS Name: 4-[(3-chloro-4-ethoxyphenyl)-hydroxymethylidene]-1-[3-(1-imidazolyl)propyl]-5-(4-pyridin-1-iumyl)pyrrolidine-2,3-dione IUPAC Name: 4-[(3-chloro-4-ethoxyphenyl)-hydroxymethylidene]-1-(3-imidazol-1-ylpropyl)-5-pyridin-1-ium-4-ylpyrrolidine-2,3-dione Traditional Name: 4-[(3-chloro-4-ethoxy-phenyl)-hydroxy-methylene]-1-(3-imidazol-1-ylpropyl)-5-pyridin-1-ium-4-yl-pyrrolidine-2,3-quinone Formula: C24H24ClN4O4+ MolecularWeight: 467.92476

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=C2C(N(C(=O)C2=O)CCCN3C=CN=C3)C4=CC=[NH+]C=C4)O)Cl

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=C2C(N(C(=O)C2=O)CCCN3C=CN=C3)C4=CC=[NH+]C=C4)O)Cl

InChI

InChI=1S/C24H23ClN4O4/c1-2-33-19-5-4-17(14-18(19)25)22(30)20-21(16-6-8-26-9-7-16)29(24(32)23(20)31)12-3-11-28-13-10-27-15-28/h4-10,13-15,21,30H,2-3,11-12H2,1H3/p+1