1-(4-methylphenyl)-2,4-diphenyl-5,6,7,8-tetrahydroquinolin-1-ium; trifluoromethyl sulfite

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)[N+]2=C(C=C(C3=C2CCCC3)C4=CC=CC=C4)C5=CC=CC=C5.C(OS(=O)[O-])(F)(F)F

Isomeric SMILES

CC1=CC=C(C=C1)[N+]2=C(C=C(C3=C2CCCC3)C4=CC=CC=C4)C5=CC=CC=C5.C(OS(=O)[O-])(F)(F)F

InChI

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