1-[2-chloranyl-5-(trifluoromethyl)phenyl]sulfonyl-4-methyl-piperazin-4-ium

Systemtic Name: 1-[2-chloranyl-5-(trifluoromethyl)phenyl]sulfonyl-4-methyl-piperazin-4-ium Openeye Name: 1-[2-chloro-5-(trifluoromethyl)phenyl]sulfonyl-4-methyl-piperazin-4-ium CAS Name: 1-[2-chloro-5-(trifluoromethyl)phenyl]sulfonyl-4-methylpiperazin-4-ium IUPAC Name: 1-[2-chloro-5-(trifluoromethyl)phenyl]sulfonyl-4-methylpiperazin-4-ium Traditional Name: 1-[2-chloro-5-(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=C(C=CC(=C2)C(F)(F)F)Cl

Isomeric SMILES

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

InChI

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