2-[2-(4-methoxyphenyl)ethynyl]-1-prop-2-ynyl-pyridin-1-ium; tris(fluoranyl)methanesulfonate

Systemtic Name: 2-[2-(4-methoxyphenyl)ethynyl]-1-prop-2-ynyl-pyridin-1-ium; tris(fluoranyl)methanesulfonate Openeye Name: 2-[2-(4-methoxyphenyl)ethynyl]-1-prop-2-ynyl-pyridin-1-ium; trifluoromethanesulfonate CAS Name: 2-[2-(4-methoxyphenyl)ethynyl]-1-prop-2-ynylpyridin-1-ium; trifluoromethanesulfonate IUPAC Name: 2-[2-(4-methoxyphenyl)ethynyl]-1-prop-2-ynylpyridin-1-ium; trifluoromethanesulfonate Traditional Name: 2-[2-(4-methoxyphenyl)ethynyl]-1-propargyl-pyridin-1-ium triflate Formula: C18H14F3NO4S MolecularWeight: 397.36827

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C#CC2=CC=CC=[N+]2CC#C.C(F)(F)(F)S(=O)(=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)C#CC2=CC=CC=[N+]2CC#C.C(F)(F)(F)S(=O)(=O)[O-]

InChI

InChI=1S/C17H14NO.CHF3O3S/c1-3-13-18-14-5-4-6-16(18)10-7-15-8-11-17(19-2)12-9-15;2-1(3,4)8(5,6)7/h1,4-6,8-9,11-12,14H,13H2,2H3;(H,5,6,7)/q+1;/p-1