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

Systemtic Name: 4-[(4-methoxy-3-methyl-phenyl)-oxidanyl-methylidene]-5-pyridin-1-ium-4-yl-1-(pyridin-1-ium-3-ylmethyl)pyrrolidine-2,3-dione Openeye Name: 4-[hydroxy-(4-methoxy-3-methyl-phenyl)methylene]-5-pyridin-1-ium-4-yl-1-(pyridin-1-ium-3-ylmethyl)pyrrolidine-2,3-dione CAS Name: 4-[hydroxy-(4-methoxy-3-methylphenyl)methylidene]-5-(4-pyridin-1-iumyl)-1-(3-pyridin-1-iumylmethyl)pyrrolidine-2,3-dione IUPAC Name: 4-[hydroxy-(4-methoxy-3-methylphenyl)methylidene]-5-pyridin-1-ium-4-yl-1-(pyridin-1-ium-3-ylmethyl)pyrrolidine-2,3-dione Traditional Name: 4-[hydroxy-(4-methoxy-3-methyl-phenyl)methylene]-5-pyridin-1-ium-4-yl-1-(pyridin-1-ium-3-ylmethyl)pyrrolidine-2,3-quinone Formula: C24H23N3O4+2 MolecularWeight: 417.45712

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=C2C(N(C(=O)C2=O)CC3=C[NH+]=CC=C3)C4=CC=[NH+]C=C4)O)OC

Isomeric SMILES

CC1=C(C=CC(=C1)C(=C2C(N(C(=O)C2=O)CC3=C[NH+]=CC=C3)C4=CC=[NH+]C=C4)O)OC

InChI

InChI=1S/C24H21N3O4/c1-15-12-18(5-6-19(15)31-2)22(28)20-21(17-7-10-25-11-8-17)27(24(30)23(20)29)14-16-4-3-9-26-13-16/h3-13,21,28H,14H2,1-2H3/p+2