3-ethynyl-2-phenyl-1-prop-2-ynyl-pyridin-1-ium; tris(fluoranyl)methanesulfonate

Systemtic Name: 3-ethynyl-2-phenyl-1-prop-2-ynyl-pyridin-1-ium; tris(fluoranyl)methanesulfonate Openeye Name: 3-ethynyl-2-phenyl-1-prop-2-ynyl-pyridin-1-ium; trifluoromethanesulfonate CAS Name: 3-ethynyl-2-phenyl-1-prop-2-ynylpyridin-1-ium; trifluoromethanesulfonate IUPAC Name: 3-ethynyl-2-phenyl-1-prop-2-ynylpyridin-1-ium; trifluoromethanesulfonate Traditional Name: 3-ethynyl-2-phenyl-1-propargyl-pyridin-1-ium triflate Formula: C17H12F3NO3S MolecularWeight: 367.34229

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Descriptors Computed from Structure

Canonical SMILES:

C#CC[N+]1=CC=CC(=C1C2=CC=CC=C2)C#C.C(F)(F)(F)S(=O)(=O)[O-]

Isomeric SMILES

C#CC[N+]1=CC=CC(=C1C2=CC=CC=C2)C#C.C(F)(F)(F)S(=O)(=O)[O-]

InChI

InChI=1S/C16H12N.CHF3O3S/c1-3-12-17-13-8-11-14(4-2)16(17)15-9-6-5-7-10-15;2-1(3,4)8(5,6)7/h1-2,5-11,13H,12H2;(H,5,6,7)/q+1;/p-1