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

Systemtic Name: 1-(furan-2-ylmethyl)-4-[(4-methoxyphenyl)-oxidanyl-methylidene]-5-pyridin-1-ium-3-yl-pyrrolidine-2,3-dione Openeye Name: 1-(2-furylmethyl)-4-[hydroxy-(4-methoxyphenyl)methylene]-5-pyridin-1-ium-3-yl-pyrrolidine-2,3-dione CAS Name: 1-(2-furanylmethyl)-4-[hydroxy-(4-methoxyphenyl)methylidene]-5-(3-pyridin-1-iumyl)pyrrolidine-2,3-dione IUPAC Name: 1-(furan-2-ylmethyl)-4-[hydroxy-(4-methoxyphenyl)methylidene]-5-pyridin-1-ium-3-ylpyrrolidine-2,3-dione Traditional Name: 1-(2-furfuryl)-4-[hydroxy-(4-methoxyphenyl)methylene]-5-pyridin-1-ium-3-yl-pyrrolidine-2,3-quinone Formula: C22H19N2O5+ MolecularWeight: 391.39666

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=C2C(N(C(=O)C2=O)CC3=CC=CO3)C4=C[NH+]=CC=C4)O

Isomeric SMILES

COC1=CC=C(C=C1)C(=C2C(N(C(=O)C2=O)CC3=CC=CO3)C4=C[NH+]=CC=C4)O

InChI

InChI=1S/C22H18N2O5/c1-28-16-8-6-14(7-9-16)20(25)18-19(15-4-2-10-23-12-15)24(22(27)21(18)26)13-17-5-3-11-29-17/h2-12,19,25H,13H2,1H3/p+1