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

Systemtic Name: 4-[(3-methoxyphenyl)-oxidanyl-methylidene]-5-pyridin-1-ium-3-yl-1-(pyridin-1-ium-3-ylmethyl)pyrrolidine-2,3-dione Openeye Name: 4-[hydroxy-(3-methoxyphenyl)methylene]-5-pyridin-1-ium-3-yl-1-(pyridin-1-ium-3-ylmethyl)pyrrolidine-2,3-dione CAS Name: 4-[hydroxy-(3-methoxyphenyl)methylidene]-5-(3-pyridin-1-iumyl)-1-(3-pyridin-1-iumylmethyl)pyrrolidine-2,3-dione IUPAC Name: 4-[hydroxy-(3-methoxyphenyl)methylidene]-5-pyridin-1-ium-3-yl-1-(pyridin-1-ium-3-ylmethyl)pyrrolidine-2,3-dione Traditional Name: 4-[hydroxy-(3-methoxyphenyl)methylene]-5-pyridin-1-ium-3-yl-1-(pyridin-1-ium-3-ylmethyl)pyrrolidine-2,3-quinone Formula: C23H21N3O4+2 MolecularWeight: 403.43054

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C(=C2C(N(C(=O)C2=O)CC3=C[NH+]=CC=C3)C4=C[NH+]=CC=C4)O

Isomeric SMILES

COC1=CC=CC(=C1)C(=C2C(N(C(=O)C2=O)CC3=C[NH+]=CC=C3)C4=C[NH+]=CC=C4)O

InChI

InChI=1S/C23H19N3O4/c1-30-18-8-2-6-16(11-18)21(27)19-20(17-7-4-10-25-13-17)26(23(29)22(19)28)14-15-5-3-9-24-12-15/h2-13,20,27H,14H2,1H3/p+2