1-but-3-enyl-2-(2-thiophen-2-ylethynyl)pyridin-1-ium; tris(fluoranyl)methanesulfonate

Systemtic Name: 1-but-3-enyl-2-(2-thiophen-2-ylethynyl)pyridin-1-ium; tris(fluoranyl)methanesulfonate Openeye Name: 1-but-3-enyl-2-[2-(2-thienyl)ethynyl]pyridin-1-ium; trifluoromethanesulfonate CAS Name: 1-but-3-enyl-2-(2-thiophen-2-ylethynyl)pyridin-1-ium; trifluoromethanesulfonate IUPAC Name: 1-but-3-enyl-2-(2-thiophen-2-ylethynyl)pyridin-1-ium; trifluoromethanesulfonate Traditional Name: 1-but-3-enyl-2-[2-(2-thienyl)ethynyl]pyridin-1-ium triflate Formula: C16H14F3NO3S2 MolecularWeight: 389.41247

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Descriptors Computed from Structure

Canonical SMILES:

C=CCC[N+]1=CC=CC=C1C#CC2=CC=CS2.C(F)(F)(F)S(=O)(=O)[O-]

Isomeric SMILES

C=CCC[N+]1=CC=CC=C1C#CC2=CC=CS2.C(F)(F)(F)S(=O)(=O)[O-]

InChI

InChI=1S/C15H14NS.CHF3O3S/c1-2-3-11-16-12-5-4-7-14(16)9-10-15-8-6-13-17-15;2-1(3,4)8(5,6)7/h2,4-8,12-13H,1,3,11H2;(H,5,6,7)/q+1;/p-1