1-[3-(1H-imidazol-3-ium-3-yl)propyl]-4-[(3-methoxyphenyl)-oxidanyl-methylidene]-5-pyridin-1-ium-2-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-2-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-2-yl-pyrrolidine-2,3-dione CAS Name: 4-[hydroxy-(3-methoxyphenyl)methylidene]-1-[3-(1H-imidazol-3-ium-3-yl)propyl]-5-(2-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-2-ylpyrrolidine-2,3-dione Traditional Name: 4-[hydroxy-(3-methoxyphenyl)methylene]-1-[3-(1H-imidazol-3-ium-3-yl)propyl]-5-pyridin-1-ium-2-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=CC=CC=[NH+]4)O

Isomeric SMILES

COC1=CC=CC(=C1)C(=C2C(N(C(=O)C2=O)CCC[N+]3=CNC=C3)C4=CC=CC=[NH+]4)O

InChI

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