1-methyl-2-(2-phenylethynyl)pyridin-1-ium; tris(fluoranyl)methanesulfonate

Systemtic Name: 1-methyl-2-(2-phenylethynyl)pyridin-1-ium; tris(fluoranyl)methanesulfonate Openeye Name: 1-methyl-2-(2-phenylethynyl)pyridin-1-ium; trifluoromethanesulfonate CAS Name: 1-methyl-2-(2-phenylethynyl)pyridin-1-ium; trifluoromethanesulfonate IUPAC Name: 1-methyl-2-(2-phenylethynyl)pyridin-1-ium; trifluoromethanesulfonate Traditional Name: 1-methyl-2-(2-phenylethynyl)pyridin-1-ium triflate Formula: C15H12F3NO3S MolecularWeight: 343.32089

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=CC=C1C#CC2=CC=CC=C2.C(F)(F)(F)S(=O)(=O)[O-]

Isomeric SMILES

C[N+]1=CC=CC=C1C#CC2=CC=CC=C2.C(F)(F)(F)S(=O)(=O)[O-]

InChI

InChI=1S/C14H12N.CHF3O3S/c1-15-12-6-5-9-14(15)11-10-13-7-3-2-4-8-13;2-1(3,4)8(5,6)7/h2-9,12H,1H3;(H,5,6,7)/q+1;/p-1