N,N-dimethyl-4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazine-1-sulfonamide

Systemtic Name: N,N-dimethyl-4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazine-1-sulfonamide Openeye Name: N,N-dimethyl-4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazine-1-sulfonamide CAS Name: N,N-dimethyl-4-[5-(trifluoromethyl)-2-pyridin-1-iumyl]-1-piperazinesulfonamide IUPAC Name: N,N-dimethyl-4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazine-1-sulfonamide Traditional Name: N,N-dimethyl-4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazine-1-sulfonamide Formula: C12H18F3N4O2S+ MolecularWeight: 339.35713

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)S(=O)(=O)N1CCN(CC1)C2=[NH+]C=C(C=C2)C(F)(F)F

Isomeric SMILES

CN(C)S(=O)(=O)N1CCN(CC1)C2=[NH+]C=C(C=C2)C(F)(F)F

InChI

InChI=1S/C12H17F3N4O2S/c1-17(2)22(20,21)19-7-5-18(6-8-19)11-4-3-10(9-16-11)12(13,14)15/h3-4,9H,5-8H2,1-2H3/p+1