1-butyl-2,4,6-trimethyl-pyridin-1-ium; tris(fluoranyl)methanesulfonate

Systemtic Name: 1-butyl-2,4,6-trimethyl-pyridin-1-ium; tris(fluoranyl)methanesulfonate Openeye Name: 1-butyl-2,4,6-trimethyl-pyridin-1-ium; trifluoromethanesulfonate CAS Name: 1-butyl-2,4,6-trimethylpyridin-1-ium; trifluoromethanesulfonate IUPAC Name: 1-butyl-2,4,6-trimethylpyridin-1-ium; trifluoromethanesulfonate Traditional Name: 1-butyl-2,4,6-trimethyl-pyridin-1-ium triflate Formula: C13H20F3NO3S MolecularWeight: 327.36301

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[N+]1=C(C=C(C=C1C)C)C.C(F)(F)(F)S(=O)(=O)[O-]

Isomeric SMILES

CCCC[N+]1=C(C=C(C=C1C)C)C.C(F)(F)(F)S(=O)(=O)[O-]

InChI

InChI=1S/C12H20N.CHF3O3S/c1-5-6-7-13-11(3)8-10(2)9-12(13)4;2-1(3,4)8(5,6)7/h8-9H,5-7H2,1-4H3;(H,5,6,7)/q+1;/p-1