1-(4-methylphenyl)sulfonyl-4-[3-(trifluoromethyl)pyridin-1-ium-2-yl]piperazine

Systemtic Name: 1-(4-methylphenyl)sulfonyl-4-[3-(trifluoromethyl)pyridin-1-ium-2-yl]piperazine Openeye Name: 1-(p-tolylsulfonyl)-4-[3-(trifluoromethyl)pyridin-1-ium-2-yl]piperazine CAS Name: 1-(4-methylphenyl)sulfonyl-4-[3-(trifluoromethyl)-2-pyridin-1-iumyl]piperazine IUPAC Name: 1-(4-methylphenyl)sulfonyl-4-[3-(trifluoromethyl)pyridin-1-ium-2-yl]piperazine Traditional Name: 1-tosyl-4-[3-(trifluoromethyl)pyridin-1-ium-2-yl]piperazine Formula: C17H19F3N3O2S+ MolecularWeight: 386.41187

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=C(C=CC=[NH+]3)C(F)(F)F

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=C(C=CC=[NH+]3)C(F)(F)F

InChI

InChI=1S/C17H18F3N3O2S/c1-13-4-6-14(7-5-13)26(24,25)23-11-9-22(10-12-23)16-15(17(18,19)20)3-2-8-21-16/h2-8H,9-12H2,1H3/p+1