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

Systemtic Name: 2-(2-phenylethynyl)-1-prop-2-enyl-pyridin-1-ium; tris(fluoranyl)methanesulfonate Openeye Name: 1-allyl-2-(2-phenylethynyl)pyridin-1-ium; trifluoromethanesulfonate CAS Name: 2-(2-phenylethynyl)-1-prop-2-enylpyridin-1-ium; trifluoromethanesulfonate IUPAC Name: 2-(2-phenylethynyl)-1-prop-2-enylpyridin-1-ium; trifluoromethanesulfonate Traditional Name: 1-allyl-2-(2-phenylethynyl)pyridin-1-ium triflate Formula: C17H14F3NO3S MolecularWeight: 369.35817

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H14N.CHF3O3S/c1-2-13-17-14-7-6-10-16(17)12-11-15-8-4-3-5-9-15;2-1(3,4)8(5,6)7/h2-10,14H,1,13H2;(H,5,6,7)/q+1;/p-1