2,4-diphenyl-1-propan-2-yl-5,6-dihydrobenzo[h]quinolin-1-ium; tris(fluoranyl)methanesulfonate

Systemtic Name: 2,4-diphenyl-1-propan-2-yl-5,6-dihydrobenzo[h]quinolin-1-ium; tris(fluoranyl)methanesulfonate Openeye Name: 1-isopropyl-2,4-diphenyl-5,6-dihydrobenzo[h]quinolin-1-ium; trifluoromethanesulfonate CAS Name: 2,4-diphenyl-1-propan-2-yl-5,6-dihydrobenzo[h]quinolin-1-ium; trifluoromethanesulfonate IUPAC Name: 2,4-diphenyl-1-propan-2-yl-5,6-dihydrobenzo[h]quinolin-1-ium; trifluoromethanesulfonate Traditional Name: 1-isopropyl-2,4-diphenyl-5,6-dihydrobenzo[h]quinolin-1-ium triflate Formula: C29H26F3NO3S MolecularWeight: 525.58185

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[N+]1=C(C=C(C2=C1C3=CC=CC=C3CC2)C4=CC=CC=C4)C5=CC=CC=C5.C(F)(F)(F)S(=O)(=O)[O-]

Isomeric SMILES

CC(C)[N+]1=C(C=C(C2=C1C3=CC=CC=C3CC2)C4=CC=CC=C4)C5=CC=CC=C5.C(F)(F)(F)S(=O)(=O)[O-]

InChI

InChI=1S/C28H26N.CHF3O3S/c1-20(2)29-27(23-14-7-4-8-15-23)19-26(21-11-5-3-6-12-21)25-18-17-22-13-9-10-16-24(22)28(25)29;2-1(3,4)8(5,6)7/h3-16,19-20H,17-18H2,1-2H3;(H,5,6,7)/q+1;/p-1