1-(phenylmethyl)pyridin-1-ium; tris(fluoranyl)methanesulfonate

Systemtic Name: 1-(phenylmethyl)pyridin-1-ium; tris(fluoranyl)methanesulfonate Openeye Name: 1-benzylpyridin-1-ium; trifluoromethanesulfonate CAS Name: 1-(phenylmethyl)pyridin-1-ium; trifluoromethanesulfonate IUPAC Name: 1-benzylpyridin-1-ium; trifluoromethanesulfonate Traditional Name: 1-benzylpyridin-1-ium triflate Formula: C13H12F3NO3S MolecularWeight: 319.29949

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H12N.CHF3O3S/c1-3-7-12(8-4-1)11-13-9-5-2-6-10-13;2-1(3,4)8(5,6)7/h1-10H,11H2;(H,5,6,7)/q+1;/p-1