1-methyl-4-octoxy-pyridin-1-ium; tris(fluoranyl)methanesulfonate

Systemtic Name: 1-methyl-4-octoxy-pyridin-1-ium; tris(fluoranyl)methanesulfonate Openeye Name: 1-methyl-4-octoxy-pyridin-1-ium; trifluoromethanesulfonate CAS Name: 1-methyl-4-octoxypyridin-1-ium; trifluoromethanesulfonate IUPAC Name: 1-methyl-4-octoxypyridin-1-ium; trifluoromethanesulfonate Traditional Name: 1-methyl-4-octoxy-pyridin-1-ium triflate Formula: C15H24F3NO4S MolecularWeight: 371.41557

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC=[N+](C=C1)C.C(F)(F)(F)S(=O)(=O)[O-]

Isomeric SMILES

CCCCCCCCOC1=CC=[N+](C=C1)C.C(F)(F)(F)S(=O)(=O)[O-]

InChI

InChI=1S/C14H24NO.CHF3O3S/c1-3-4-5-6-7-8-13-16-14-9-11-15(2)12-10-14;2-1(3,4)8(5,6)7/h9-12H,3-8,13H2,1-2H3;(H,5,6,7)/q+1;/p-1