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

Systemtic Name: 1-[3-(1H-imidazol-3-ium-3-yl)propyl]-4-[(3-methoxyphenyl)-oxidanyl-methylidene]-5-pyridin-1-ium-3-yl-pyrrolidine-2,3-dione Openeye Name: 4-[hydroxy-(3-methoxyphenyl)methylene]-1-[3-(1H-imidazol-3-ium-3-yl)propyl]-5-pyridin-1-ium-3-yl-pyrrolidine-2,3-dione CAS Name: 4-[hydroxy-(3-methoxyphenyl)methylidene]-1-[3-(1H-imidazol-3-ium-3-yl)propyl]-5-(3-pyridin-1-iumyl)pyrrolidine-2,3-dione IUPAC Name: 4-[hydroxy-(3-methoxyphenyl)methylidene]-1-[3-(1H-imidazol-3-ium-3-yl)propyl]-5-pyridin-1-ium-3-ylpyrrolidine-2,3-dione Traditional Name: 4-[hydroxy-(3-methoxyphenyl)methylene]-1-[3-(1H-imidazol-3-ium-3-yl)propyl]-5-pyridin-1-ium-3-yl-pyrrolidine-2,3-quinone Formula: C23H24N4O4+2 MolecularWeight: 420.46106

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H22N4O4/c1-31-18-7-2-5-16(13-18)21(28)19-20(17-6-3-8-24-14-17)27(23(30)22(19)29)11-4-10-26-12-9-25-15-26/h2-3,5-9,12-15,20H,4,10-11H2,1H3,(H,28,29)/p+2