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

Systemtic Name: 4-[(4-methoxy-3-methyl-phenyl)-oxidanyl-methylidene]-1-(pyridin-1-ium-3-ylmethyl)-5-thiophen-2-yl-pyrrolidine-2,3-dione Openeye Name: 4-[hydroxy-(4-methoxy-3-methyl-phenyl)methylene]-1-(pyridin-1-ium-3-ylmethyl)-5-(2-thienyl)pyrrolidine-2,3-dione CAS Name: 4-[hydroxy-(4-methoxy-3-methylphenyl)methylidene]-1-(3-pyridin-1-iumylmethyl)-5-thiophen-2-ylpyrrolidine-2,3-dione IUPAC Name: 4-[hydroxy-(4-methoxy-3-methylphenyl)methylidene]-1-(pyridin-1-ium-3-ylmethyl)-5-thiophen-2-ylpyrrolidine-2,3-dione Traditional Name: 4-[hydroxy-(4-methoxy-3-methyl-phenyl)methylene]-1-(pyridin-1-ium-3-ylmethyl)-5-(2-thienyl)pyrrolidine-2,3-quinone Formula: C23H21N2O4S+ MolecularWeight: 421.48884

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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=CS4)O)OC

Isomeric SMILES

CC1=C(C=CC(=C1)C(=C2C(N(C(=O)C2=O)CC3=C[NH+]=CC=C3)C4=CC=CS4)O)OC

InChI

InChI=1S/C23H20N2O4S/c1-14-11-16(7-8-17(14)29-2)21(26)19-20(18-6-4-10-30-18)25(23(28)22(19)27)13-15-5-3-9-24-12-15/h3-12,20,26H,13H2,1-2H3/p+1