1-[(4-methylphenyl)sulfonylmethyl]pyridin-1-ium-2-amine; tris(fluoranyl)methanesulfonate

Systemtic Name: 1-[(4-methylphenyl)sulfonylmethyl]pyridin-1-ium-2-amine; tris(fluoranyl)methanesulfonate Openeye Name: 1-(p-tolylsulfonylmethyl)pyridin-1-ium-2-amine; trifluoromethanesulfonate CAS Name: 1-[(4-methylphenyl)sulfonylmethyl]-2-pyridin-1-iumamine; trifluoromethanesulfonate IUPAC Name: 1-[(4-methylphenyl)sulfonylmethyl]pyridin-1-ium-2-amine; trifluoromethanesulfonate Traditional Name: [1-(tosylmethyl)pyridin-1-ium-2-yl]amine triflate Formula: C14H15F3N2O5S2 MolecularWeight: 412.40451

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C[N+]2=CC=CC=C2N.C(F)(F)(F)S(=O)(=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C[N+]2=CC=CC=C2N.C(F)(F)(F)S(=O)(=O)[O-]

InChI

InChI=1S/C13H14N2O2S.CHF3O3S/c1-11-5-7-12(8-6-11)18(16,17)10-15-9-3-2-4-13(15)14;2-1(3,4)8(5,6)7/h2-9,14H,10H2,1H3;(H,5,6,7)