1-[(4-methylphenyl)sulfonylmethyl]pyridin-1-ium; tris(fluoranyl)methanesulfonate

Systemtic Name: 1-[(4-methylphenyl)sulfonylmethyl]pyridin-1-ium; tris(fluoranyl)methanesulfonate Openeye Name: 1-(p-tolylsulfonylmethyl)pyridin-1-ium; trifluoromethanesulfonate CAS Name: 1-[(4-methylphenyl)sulfonylmethyl]pyridin-1-ium; trifluoromethanesulfonate IUPAC Name: 1-[(4-methylphenyl)sulfonylmethyl]pyridin-1-ium; trifluoromethanesulfonate Traditional Name: 1-(tosylmethyl)pyridin-1-ium triflate Formula: C14H14F3NO5S2 MolecularWeight: 397.38987

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C[N+]2=CC=CC=C2.C(F)(F)(F)S(=O)(=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C[N+]2=CC=CC=C2.C(F)(F)(F)S(=O)(=O)[O-]

InChI

InChI=1S/C13H14NO2S.CHF3O3S/c1-12-5-7-13(8-6-12)17(15,16)11-14-9-3-2-4-10-14;2-1(3,4)8(5,6)7/h2-10H,11H2,1H3;(H,5,6,7)/q+1;/p-1