2-tert-butyl-1-(4-methylpyridin-2-yl)-4-phenyl-5,6,7,8-tetrahydroquinolin-1-ium; tris(fluoranyl)methanesulfonate

Systemtic Name: 2-tert-butyl-1-(4-methylpyridin-2-yl)-4-phenyl-5,6,7,8-tetrahydroquinolin-1-ium; tris(fluoranyl)methanesulfonate Openeye Name: 2-tert-butyl-1-(4-methyl-2-pyridyl)-4-phenyl-5,6,7,8-tetrahydroquinolin-1-ium; trifluoromethanesulfonate CAS Name: 2-tert-butyl-1-(4-methyl-2-pyridinyl)-4-phenyl-5,6,7,8-tetrahydroquinolin-1-ium; trifluoromethanesulfonate IUPAC Name: 2-tert-butyl-1-(4-methylpyridin-2-yl)-4-phenyl-5,6,7,8-tetrahydroquinolin-1-ium; trifluoromethanesulfonate Traditional Name: 2-tert-butyl-1-(4-methyl-2-pyridyl)-4-phenyl-5,6,7,8-tetrahydroquinolin-1-ium triflate Formula: C26H29F3N2O3S MolecularWeight: 506.58027

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC=C1)[N+]2=C(C=C(C3=C2CCCC3)C4=CC=CC=C4)C(C)(C)C.C(F)(F)(F)S(=O)(=O)[O-]

Isomeric SMILES

CC1=CC(=NC=C1)[N+]2=C(C=C(C3=C2CCCC3)C4=CC=CC=C4)C(C)(C)C.C(F)(F)(F)S(=O)(=O)[O-]

InChI

InChI=1S/C25H29N2.CHF3O3S/c1-18-14-15-26-24(16-18)27-22-13-9-8-12-20(22)21(17-23(27)25(2,3)4)19-10-6-5-7-11-19;2-1(3,4)8(5,6)7/h5-7,10-11,14-17H,8-9,12-13H2,1-4H3;(H,5,6,7)/q+1;/p-1