2-(2,4,6-triphenylpyridin-1-ium-1-yl)ethanamine; tris(fluoranyl)methanesulfonate

Systemtic Name: 2-(2,4,6-triphenylpyridin-1-ium-1-yl)ethanamine; tris(fluoranyl)methanesulfonate Openeye Name: trifluoromethanesulfonate; 2-(2,4,6-triphenylpyridin-1-ium-1-yl)ethanamine CAS Name: trifluoromethanesulfonate; 2-(2,4,6-triphenyl-1-pyridin-1-iumyl)ethanamine IUPAC Name: trifluoromethanesulfonate; 2-(2,4,6-triphenylpyridin-1-ium-1-yl)ethanamine Traditional Name: 2-(2,4,6-triphenylpyridin-1-ium-1-yl)ethylamine triflate Formula: C26H23F3N2O3S MolecularWeight: 500.53263

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC(=[N+](C(=C2)C3=CC=CC=C3)CCN)C4=CC=CC=C4.C(F)(F)(F)S(=O)(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C2=CC(=[N+](C(=C2)C3=CC=CC=C3)CCN)C4=CC=CC=C4.C(F)(F)(F)S(=O)(=O)[O-]

InChI

InChI=1S/C25H23N2.CHF3O3S/c26-16-17-27-24(21-12-6-2-7-13-21)18-23(20-10-4-1-5-11-20)19-25(27)22-14-8-3-9-15-22;2-1(3,4)8(5,6)7/h1-15,18-19H,16-17,26H2;(H,5,6,7)/q+1;/p-1