4-(4-fluorophenyl)carbonyl-1-(3-morpholin-4-ium-4-ylpropyl)-5-thiophen-2-yl-pyrrolidine-2,3-dione

Systemtic Name: 4-(4-fluorophenyl)carbonyl-1-(3-morpholin-4-ium-4-ylpropyl)-5-thiophen-2-yl-pyrrolidine-2,3-dione Openeye Name: 4-(4-fluorobenzoyl)-1-(3-morpholin-4-ium-4-ylpropyl)-5-(2-thienyl)pyrrolidine-2,3-dione CAS Name: 4-[(4-fluorophenyl)-oxomethyl]-1-[3-(4-morpholin-4-iumyl)propyl]-5-thiophen-2-ylpyrrolidine-2,3-dione IUPAC Name: 4-(4-fluorobenzoyl)-1-(3-morpholin-4-ium-4-ylpropyl)-5-thiophen-2-ylpyrrolidine-2,3-dione Traditional Name: 4-(4-fluorobenzoyl)-1-(3-morpholin-4-ium-4-ylpropyl)-5-(2-thienyl)pyrrolidine-2,3-quinone Formula: C22H24FN2O4S+ MolecularWeight: 431.500363

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCCN2C(C(C(=O)C2=O)C(=O)C3=CC=C(C=C3)F)C4=CC=CS4

Isomeric SMILES

C1COCC[NH+]1CCCN2C(C(C(=O)C2=O)C(=O)C3=CC=C(C=C3)F)C4=CC=CS4

InChI

InChI=1S/C22H23FN2O4S/c23-16-6-4-15(5-7-16)20(26)18-19(17-3-1-14-30-17)25(22(28)21(18)27)9-2-8-24-10-12-29-13-11-24/h1,3-7,14,18-19H,2,8-13H2/p+1