2-[(4-iodophenyl)methoxy]-1-methyl-pyridin-1-ium; tris(fluoranyl)methanesulfonate

Systemtic Name: 2-[(4-iodophenyl)methoxy]-1-methyl-pyridin-1-ium; tris(fluoranyl)methanesulfonate Openeye Name: 2-[(4-iodophenyl)methoxy]-1-methyl-pyridin-1-ium; trifluoromethanesulfonate CAS Name: 2-[(4-iodophenyl)methoxy]-1-methylpyridin-1-ium; trifluoromethanesulfonate IUPAC Name: 2-[(4-iodophenyl)methoxy]-1-methylpyridin-1-ium; trifluoromethanesulfonate Traditional Name: 2-(4-iodobenzyl)oxy-1-methyl-pyridin-1-ium triflate Formula: C14H13F3INO4S MolecularWeight: 475.222

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=CC=C1OCC2=CC=C(C=C2)I.C(F)(F)(F)S(=O)(=O)[O-]

Isomeric SMILES

C[N+]1=CC=CC=C1OCC2=CC=C(C=C2)I.C(F)(F)(F)S(=O)(=O)[O-]

InChI

InChI=1S/C13H13INO.CHF3O3S/c1-15-9-3-2-4-13(15)16-10-11-5-7-12(14)8-6-11;2-1(3,4)8(5,6)7/h2-9H,10H2,1H3;(H,5,6,7)/q+1;/p-1