3,5-dimethyl-1-[(4-methylphenyl)sulfonylmethyl]pyridin-1-ium; tris(fluoranyl)methanesulfonate

Systemtic Name: 3,5-dimethyl-1-[(4-methylphenyl)sulfonylmethyl]pyridin-1-ium; tris(fluoranyl)methanesulfonate Openeye Name: 3,5-dimethyl-1-(p-tolylsulfonylmethyl)pyridin-1-ium; trifluoromethanesulfonate CAS Name: 3,5-dimethyl-1-[(4-methylphenyl)sulfonylmethyl]pyridin-1-ium; trifluoromethanesulfonate IUPAC Name: 3,5-dimethyl-1-[(4-methylphenyl)sulfonylmethyl]pyridin-1-ium; trifluoromethanesulfonate Traditional Name: 3,5-dimethyl-1-(tosylmethyl)pyridin-1-ium triflate Formula: C16H18F3NO5S2 MolecularWeight: 425.44303

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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)C.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)C.C(F)(F)(F)S(=O)(=O)[O-]

InChI

InChI=1S/C15H18NO2S.CHF3O3S/c1-12-4-6-15(7-5-12)19(17,18)11-16-9-13(2)8-14(3)10-16;2-1(3,4)8(5,6)7/h4-10H,11H2,1-3H3;(H,5,6,7)/q+1;/p-1