(3S)-1-(4-chlorophenyl)-3-[4-[(4-fluorophenyl)amino]piperidin-1-ium-1-yl]pyrrolidine-2,5-dione

Systemtic Name: (3S)-1-(4-chlorophenyl)-3-[4-[(4-fluorophenyl)amino]piperidin-1-ium-1-yl]pyrrolidine-2,5-dione Openeye Name: (3S)-1-(4-chlorophenyl)-3-[4-(4-fluoroanilino)piperidin-1-ium-1-yl]pyrrolidine-2,5-dione CAS Name: (3S)-1-(4-chlorophenyl)-3-[4-(4-fluoroanilino)-1-piperidin-1-iumyl]pyrrolidine-2,5-dione IUPAC Name: (3S)-1-(4-chlorophenyl)-3-[4-(4-fluoroanilino)piperidin-1-ium-1-yl]pyrrolidine-2,5-dione Traditional Name: (3S)-1-(4-chlorophenyl)-3-[4-(4-fluoroanilino)piperidin-1-ium-1-yl]pyrrolidine-2,5-quinone Formula: C21H22ClFN3O2+ MolecularWeight: 402.869683

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1NC2=CC=C(C=C2)F)C3CC(=O)N(C3=O)C4=CC=C(C=C4)Cl

Isomeric SMILES

C1C[NH+](CCC1NC2=CC=C(C=C2)F)[C@H]3CC(=O)N(C3=O)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C21H21ClFN3O2/c22-14-1-7-18(8-2-14)26-20(27)13-19(21(26)28)25-11-9-17(10-12-25)24-16-5-3-15(23)4-6-16/h1-8,17,19,24H,9-13H2/p+1/t19-/m0/s1