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

Systemtic Name: (4E)-4-[(3-chloranyl-4-methoxy-phenyl)-oxidanyl-methylidene]-1-[3-(1H-imidazol-3-ium-3-yl)propyl]-5-pyridin-3-yl-pyrrolidine-2,3-dione Openeye Name: (4E)-4-[(3-chloro-4-methoxy-phenyl)-hydroxy-methylene]-1-[3-(1H-imidazol-3-ium-3-yl)propyl]-5-(3-pyridyl)pyrrolidine-2,3-dione CAS Name: (4E)-4-[(3-chloro-4-methoxyphenyl)-hydroxymethylidene]-1-[3-(1H-imidazol-3-ium-3-yl)propyl]-5-(3-pyridinyl)pyrrolidine-2,3-dione IUPAC Name: (4E)-4-[(3-chloro-4-methoxyphenyl)-hydroxymethylidene]-1-[3-(1H-imidazol-3-ium-3-yl)propyl]-5-pyridin-3-ylpyrrolidine-2,3-dione Traditional Name: (4E)-4-[(3-chloro-4-methoxy-phenyl)-hydroxy-methylene]-1-[3-(1H-imidazol-3-ium-3-yl)propyl]-5-(3-pyridyl)pyrrolidine-2,3-quinone Formula: C23H22ClN4O4+ MolecularWeight: 453.89818

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=C2C(N(C(=O)C2=O)CCC[N+]3=CNC=C3)C4=CN=CC=C4)O)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)/C(=C\2/C(N(C(=O)C2=O)CCC[N+]3=CNC=C3)C4=CN=CC=C4)/O)Cl

InChI

InChI=1S/C23H21ClN4O4/c1-32-18-6-5-15(12-17(18)24)21(29)19-20(16-4-2-7-25-13-16)28(23(31)22(19)30)10-3-9-27-11-8-26-14-27/h2,4-8,11-14,20H,3,9-10H2,1H3,(H,29,30)/p+1