(3R)-3-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-ium-1-yl]-1-(3-fluorophenyl)pyrrolidine-2,5-dione

Systemtic Name: (3R)-3-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-ium-1-yl]-1-(3-fluorophenyl)pyrrolidine-2,5-dione Openeye Name: (3R)-3-[4-(5-chloro-2-methyl-phenyl)piperazin-1-ium-1-yl]-1-(3-fluorophenyl)pyrrolidine-2,5-dione CAS Name: (3R)-3-[4-(5-chloro-2-methylphenyl)-1-piperazin-1-iumyl]-1-(3-fluorophenyl)pyrrolidine-2,5-dione IUPAC Name: (3R)-3-[4-(5-chloro-2-methylphenyl)piperazin-1-ium-1-yl]-1-(3-fluorophenyl)pyrrolidine-2,5-dione Traditional Name: (3R)-3-[4-(5-chloro-2-methyl-phenyl)piperazin-1-ium-1-yl]-1-(3-fluorophenyl)pyrrolidine-2,5-quinone Formula: C21H22ClFN3O2+ MolecularWeight: 402.869683

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Cl)N2CC[NH+](CC2)C3CC(=O)N(C3=O)C4=CC(=CC=C4)F

Isomeric SMILES

CC1=C(C=C(C=C1)Cl)N2CC[NH+](CC2)[C@@H]3CC(=O)N(C3=O)C4=CC(=CC=C4)F

InChI

InChI=1S/C21H21ClFN3O2/c1-14-5-6-15(22)11-18(14)24-7-9-25(10-8-24)19-13-20(27)26(21(19)28)17-4-2-3-16(23)12-17/h2-6,11-12,19H,7-10,13H2,1H3/p+1/t19-/m1/s1