1-[2-(1-benzofuran-3-yl)ethyl]-4-methoxy-pyridin-1-ium; tris(fluoranyl)methanesulfonate

Systemtic Name: 1-[2-(1-benzofuran-3-yl)ethyl]-4-methoxy-pyridin-1-ium; tris(fluoranyl)methanesulfonate Openeye Name: 1-[2-(benzofuran-3-yl)ethyl]-4-methoxy-pyridin-1-ium; trifluoromethanesulfonate CAS Name: 1-[2-(3-benzofuranyl)ethyl]-4-methoxypyridin-1-ium; trifluoromethanesulfonate IUPAC Name: 1-[2-(1-benzofuran-3-yl)ethyl]-4-methoxypyridin-1-ium; trifluoromethanesulfonate Traditional Name: 1-[2-(benzofuran-3-yl)ethyl]-4-methoxy-pyridin-1-ium triflate Formula: C17H16F3NO5S MolecularWeight: 403.37285

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=[N+](C=C1)CCC2=COC3=CC=CC=C32.C(F)(F)(F)S(=O)(=O)[O-]

Isomeric SMILES

COC1=CC=[N+](C=C1)CCC2=COC3=CC=CC=C32.C(F)(F)(F)S(=O)(=O)[O-]

InChI

InChI=1S/C16H16NO2.CHF3O3S/c1-18-14-7-10-17(11-8-14)9-6-13-12-19-16-5-3-2-4-15(13)16;2-1(3,4)8(5,6)7/h2-5,7-8,10-12H,6,9H2,1H3;(H,5,6,7)/q+1;/p-1