1-[4-chloranyl-3-(trifluoromethyl)phenyl]sulfonyl-4-methyl-piperazin-4-ium

Systemtic Name: 1-[4-chloranyl-3-(trifluoromethyl)phenyl]sulfonyl-4-methyl-piperazin-4-ium Openeye Name: 1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-4-methyl-piperazin-4-ium CAS Name: 1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-4-methylpiperazin-4-ium IUPAC Name: 1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-4-methylpiperazin-4-ium Traditional Name: 1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-4-methyl-piperazin-4-ium Formula: C12H15ClF3N2O2S+ MolecularWeight: 343.77291

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)Cl)C(F)(F)F

Isomeric SMILES

C[NH+]1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)Cl)C(F)(F)F

InChI

InChI=1S/C12H14ClF3N2O2S/c1-17-4-6-18(7-5-17)21(19,20)9-2-3-11(13)10(8-9)12(14,15)16/h2-3,8H,4-7H2,1H3/p+1