1-[[4-[4-chloranyl-3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-ium-1-yl]methyl]pyrrolidin-2-one

Systemtic Name: 1-[[4-[4-chloranyl-3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-ium-1-yl]methyl]pyrrolidin-2-one Openeye Name: 1-[[4-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-ium-1-yl]methyl]pyrrolidin-2-one CAS Name: 1-[[4-[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-1-piperazin-1-iumyl]methyl]-2-pyrrolidinone IUPAC Name: 1-[[4-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-ium-1-yl]methyl]pyrrolidin-2-one Traditional Name: 1-[[4-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-ium-1-yl]methyl]-2-pyrrolidone Formula: C16H20ClF3N3O3S+ MolecularWeight: 426.86151

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)N(C1)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)Cl)C(F)(F)F

Isomeric SMILES

C1CC(=O)N(C1)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)Cl)C(F)(F)F

InChI

InChI=1S/C16H19ClF3N3O3S/c17-14-4-3-12(10-13(14)16(18,19)20)27(25,26)23-8-6-21(7-9-23)11-22-5-1-2-15(22)24/h3-4,10H,1-2,5-9,11H2/p+1