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

Systemtic Name: 1-[4-chloranyl-3-(trifluoromethyl)phenyl]sulfonyl-4-methyl-piperazin-4-ium chloride Openeye Name: 1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-4-methyl-piperazin-4-ium chloride CAS Name: 1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-4-methylpiperazin-4-ium chloride IUPAC Name: 1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-4-methylpiperazin-4-ium chloride Traditional Name: 1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-4-methyl-piperazin-4-ium chloride Formula: C12H15Cl2F3N2O2S MolecularWeight: 379.22591

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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.[Cl-]

Isomeric SMILES

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

InChI

InChI=1S/C12H14ClF3N2O2S.ClH/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;1H