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

Systemtic Name: 2,4,6-trimethyl-1-(4-octylphenyl)pyridin-1-ium; tris(fluoranyl)methanesulfonate Openeye Name: trifluoromethanesulfonate; 2,4,6-trimethyl-1-(4-octylphenyl)pyridin-1-ium CAS Name: trifluoromethanesulfonate; 2,4,6-trimethyl-1-(4-octylphenyl)pyridin-1-ium IUPAC Name: trifluoromethanesulfonate; 2,4,6-trimethyl-1-(4-octylphenyl)pyridin-1-ium Traditional Name: 2,4,6-trimethyl-1-(4-octylphenyl)pyridin-1-ium triflate Formula: C23H32F3NO3S MolecularWeight: 459.56529

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC=C(C=C1)[N+]2=C(C=C(C=C2C)C)C.C(F)(F)(F)S(=O)(=O)[O-]

Isomeric SMILES

CCCCCCCCC1=CC=C(C=C1)[N+]2=C(C=C(C=C2C)C)C.C(F)(F)(F)S(=O)(=O)[O-]

InChI

InChI=1S/C22H32N.CHF3O3S/c1-5-6-7-8-9-10-11-21-12-14-22(15-13-21)23-19(3)16-18(2)17-20(23)4;2-1(3,4)8(5,6)7/h12-17H,5-11H2,1-4H3;(H,5,6,7)/q+1;/p-1