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

Systemtic Name: 2-(4-methylphenyl)-1,4-diphenyl-5,6,7,8-tetrahydroquinolin-1-ium; tris(fluoranyl)methanesulfonate Openeye Name: 1,4-diphenyl-2-(p-tolyl)-5,6,7,8-tetrahydroquinolin-1-ium; trifluoromethanesulfonate CAS Name: 2-(4-methylphenyl)-1,4-diphenyl-5,6,7,8-tetrahydroquinolin-1-ium; trifluoromethanesulfonate IUPAC Name: 2-(4-methylphenyl)-1,4-diphenyl-5,6,7,8-tetrahydroquinolin-1-ium; trifluoromethanesulfonate Traditional Name: 1,4-diphenyl-2-(p-tolyl)-5,6,7,8-tetrahydroquinolin-1-ium triflate Formula: C29H26F3NO3S MolecularWeight: 525.58185

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=[N+](C3=C(CCCC3)C(=C2)C4=CC=CC=C4)C5=CC=CC=C5.C(F)(F)(F)S(=O)(=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C2=[N+](C3=C(CCCC3)C(=C2)C4=CC=CC=C4)C5=CC=CC=C5.C(F)(F)(F)S(=O)(=O)[O-]

InChI

InChI=1S/C28H26N.CHF3O3S/c1-21-16-18-23(19-17-21)28-20-26(22-10-4-2-5-11-22)25-14-8-9-15-27(25)29(28)24-12-6-3-7-13-24;2-1(3,4)8(5,6)7/h2-7,10-13,16-20H,8-9,14-15H2,1H3;(H,5,6,7)/q+1;/p-1