1-ethylsulfonyl-4-[4-(trifluoromethyl)pyridin-1-ium-2-yl]piperazine

Systemtic Name: 1-ethylsulfonyl-4-[4-(trifluoromethyl)pyridin-1-ium-2-yl]piperazine Openeye Name: 1-ethylsulfonyl-4-[4-(trifluoromethyl)pyridin-1-ium-2-yl]piperazine CAS Name: 1-ethylsulfonyl-4-[4-(trifluoromethyl)-2-pyridin-1-iumyl]piperazine IUPAC Name: 1-ethylsulfonyl-4-[4-(trifluoromethyl)pyridin-1-ium-2-yl]piperazine Traditional Name: 1-esyl-4-[4-(trifluoromethyl)pyridin-1-ium-2-yl]piperazine Formula: C12H17F3N3O2S+ MolecularWeight: 324.34249

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)N1CCN(CC1)C2=[NH+]C=CC(=C2)C(F)(F)F

Isomeric SMILES

CCS(=O)(=O)N1CCN(CC1)C2=[NH+]C=CC(=C2)C(F)(F)F

InChI

InChI=1S/C12H16F3N3O2S/c1-2-21(19,20)18-7-5-17(6-8-18)11-9-10(3-4-16-11)12(13,14)15/h3-4,9H,2,5-8H2,1H3/p+1