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

Systemtic Name: 1-[4-chloranyl-3-(trifluoromethyl)phenyl]sulfonyl-4-methyl-piperazin-4-ium hydrochloride Openeye Name: 1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-4-methyl-piperazin-4-ium hydrochloride CAS Name: 1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-4-methylpiperazin-4-ium hydrochloride IUPAC Name: 1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-4-methylpiperazin-4-ium hydrochloride Traditional Name: 1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-4-methyl-piperazin-4-ium hydrochloride Formula: C12H16Cl2F3N2O2S+ MolecularWeight: 380.23385

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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/p+1