1-methyl-2,4-diphenyl-5,6,7,8-tetrahydroquinolin-1-ium; tris(fluoranyl)methanesulfonate

Systemtic Name: 1-methyl-2,4-diphenyl-5,6,7,8-tetrahydroquinolin-1-ium; tris(fluoranyl)methanesulfonate Openeye Name: 1-methyl-2,4-diphenyl-5,6,7,8-tetrahydroquinolin-1-ium; trifluoromethanesulfonate CAS Name: 1-methyl-2,4-diphenyl-5,6,7,8-tetrahydroquinolin-1-ium; trifluoromethanesulfonate IUPAC Name: 1-methyl-2,4-diphenyl-5,6,7,8-tetrahydroquinolin-1-ium; trifluoromethanesulfonate Traditional Name: 1-methyl-2,4-diphenyl-5,6,7,8-tetrahydroquinolin-1-ium triflate Formula: C23H22F3NO3S MolecularWeight: 449.48589

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(C=C(C2=C1CCCC2)C3=CC=CC=C3)C4=CC=CC=C4.C(F)(F)(F)S(=O)(=O)[O-]

Isomeric SMILES

C[N+]1=C(C=C(C2=C1CCCC2)C3=CC=CC=C3)C4=CC=CC=C4.C(F)(F)(F)S(=O)(=O)[O-]

InChI

InChI=1S/C22H22N.CHF3O3S/c1-23-21-15-9-8-14-19(21)20(17-10-4-2-5-11-17)16-22(23)18-12-6-3-7-13-18;2-1(3,4)8(5,6)7/h2-7,10-13,16H,8-9,14-15H2,1H3;(H,5,6,7)/q+1;/p-1