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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CC(=[NH+]C3=C2CCCC3)C4=CC=CC=C4.C(F)(F)(F)S(=O)(=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C2=CC(=[NH+]C3=C2CCCC3)C4=CC=CC=C4.C(F)(F)(F)S(=O)(=O)[O-]

InChI

InChI=1S/C22H21N.CHF3O3S/c1-16-11-13-17(14-12-16)20-15-22(18-7-3-2-4-8-18)23-21-10-6-5-9-19(20)21;2-1(3,4)8(5,6)7/h2-4,7-8,11-15H,5-6,9-10H2,1H3;(H,5,6,7)