1-(4-chlorophenyl)sulfonyl-4-[[2-(trifluoromethyl)phenyl]methyl]piperazin-4-ium

Systemtic Name: 1-(4-chlorophenyl)sulfonyl-4-[[2-(trifluoromethyl)phenyl]methyl]piperazin-4-ium Openeye Name: 1-(4-chlorophenyl)sulfonyl-4-[[2-(trifluoromethyl)phenyl]methyl]piperazin-4-ium CAS Name: 1-(4-chlorophenyl)sulfonyl-4-[[2-(trifluoromethyl)phenyl]methyl]piperazin-4-ium IUPAC Name: 1-(4-chlorophenyl)sulfonyl-4-[[2-(trifluoromethyl)phenyl]methyl]piperazin-4-ium Traditional Name: 1-(4-chlorophenyl)sulfonyl-4-[2-(trifluoromethyl)benzyl]piperazin-4-ium Formula: C18H19ClF3N2O2S+ MolecularWeight: 419.86887

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2C(F)(F)F)S(=O)(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2C(F)(F)F)S(=O)(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C18H18ClF3N2O2S/c19-15-5-7-16(8-6-15)27(25,26)24-11-9-23(10-12-24)13-14-3-1-2-4-17(14)18(20,21)22/h1-8H,9-13H2/p+1