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

Systemtic Name: 5-(2-fluorophenyl)-4-(4-methylphenyl)carbonyl-1-(3-morpholin-4-ium-4-ylpropyl)pyrrolidine-2,3-dione Openeye Name: 5-(2-fluorophenyl)-4-(4-methylbenzoyl)-1-(3-morpholin-4-ium-4-ylpropyl)pyrrolidine-2,3-dione CAS Name: 5-(2-fluorophenyl)-4-[(4-methylphenyl)-oxomethyl]-1-[3-(4-morpholin-4-iumyl)propyl]pyrrolidine-2,3-dione IUPAC Name: 5-(2-fluorophenyl)-4-(4-methylbenzoyl)-1-(3-morpholin-4-ium-4-ylpropyl)pyrrolidine-2,3-dione Traditional Name: 5-(2-fluorophenyl)-1-(3-morpholin-4-ium-4-ylpropyl)-4-p-toluoyl-pyrrolidine-2,3-quinone Formula: C25H28FN2O4+ MolecularWeight: 439.499223

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)C2C(N(C(=O)C2=O)CCC[NH+]3CCOCC3)C4=CC=CC=C4F

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)C2C(N(C(=O)C2=O)CCC[NH+]3CCOCC3)C4=CC=CC=C4F

InChI

InChI=1S/C25H27FN2O4/c1-17-7-9-18(10-8-17)23(29)21-22(19-5-2-3-6-20(19)26)28(25(31)24(21)30)12-4-11-27-13-15-32-16-14-27/h2-3,5-10,21-22H,4,11-16H2,1H3/p+1