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

Systemtic Name: 4-[(3-methoxyphenyl)-oxidanyl-methylidene]-1-(pyridin-1-ium-3-ylmethyl)-5-thiophen-2-yl-pyrrolidine-2,3-dione Openeye Name: 4-[hydroxy-(3-methoxyphenyl)methylene]-1-(pyridin-1-ium-3-ylmethyl)-5-(2-thienyl)pyrrolidine-2,3-dione CAS Name: 4-[hydroxy-(3-methoxyphenyl)methylidene]-1-(3-pyridin-1-iumylmethyl)-5-thiophen-2-ylpyrrolidine-2,3-dione IUPAC Name: 4-[hydroxy-(3-methoxyphenyl)methylidene]-1-(pyridin-1-ium-3-ylmethyl)-5-thiophen-2-ylpyrrolidine-2,3-dione Traditional Name: 4-[hydroxy-(3-methoxyphenyl)methylene]-1-(pyridin-1-ium-3-ylmethyl)-5-(2-thienyl)pyrrolidine-2,3-quinone Formula: C22H19N2O4S+ MolecularWeight: 407.46226

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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=CC=CS4)O

Isomeric SMILES

COC1=CC=CC(=C1)C(=C2C(N(C(=O)C2=O)CC3=C[NH+]=CC=C3)C4=CC=CS4)O

InChI

InChI=1S/C22H18N2O4S/c1-28-16-7-2-6-15(11-16)20(25)18-19(17-8-4-10-29-17)24(22(27)21(18)26)13-14-5-3-9-23-12-14/h2-12,19,25H,13H2,1H3/p+1