4-(4-fluorophenyl)carbonyl-1-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-5-pyridin-1-ium-3-yl-pyrrolidine-2,3-dione

Systemtic Name: 4-(4-fluorophenyl)carbonyl-1-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-5-pyridin-1-ium-3-yl-pyrrolidine-2,3-dione Openeye Name: 4-(4-fluorobenzoyl)-1-(5-isopropyl-1,3,4-thiadiazol-2-yl)-5-pyridin-1-ium-3-yl-pyrrolidine-2,3-dione CAS Name: 4-[(4-fluorophenyl)-oxomethyl]-1-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-5-(3-pyridin-1-iumyl)pyrrolidine-2,3-dione IUPAC Name: 4-(4-fluorobenzoyl)-1-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-5-pyridin-1-ium-3-ylpyrrolidine-2,3-dione Traditional Name: 4-(4-fluorobenzoyl)-1-(5-isopropyl-1,3,4-thiadiazol-2-yl)-5-pyridin-1-ium-3-yl-pyrrolidine-2,3-quinone Formula: C21H18FN4O3S+ MolecularWeight: 425.456023

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NN=C(S1)N2C(C(C(=O)C2=O)C(=O)C3=CC=C(C=C3)F)C4=C[NH+]=CC=C4

Isomeric SMILES

CC(C)C1=NN=C(S1)N2C(C(C(=O)C2=O)C(=O)C3=CC=C(C=C3)F)C4=C[NH+]=CC=C4

InChI

InChI=1S/C21H17FN4O3S/c1-11(2)19-24-25-21(30-19)26-16(13-4-3-9-23-10-13)15(18(28)20(26)29)17(27)12-5-7-14(22)8-6-12/h3-11,15-16H,1-2H3/p+1