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

Systemtic Name: 1-pentan-2-yl-2,4-diphenyl-5,6-dihydrobenzo[h]quinolin-1-ium; tris(fluoranyl)methanesulfonate Openeye Name: 1-(1-methylbutyl)-2,4-diphenyl-5,6-dihydrobenzo[h]quinolin-1-ium; trifluoromethanesulfonate CAS Name: 1-pentan-2-yl-2,4-diphenyl-5,6-dihydrobenzo[h]quinolin-1-ium; trifluoromethanesulfonate IUPAC Name: 1-pentan-2-yl-2,4-diphenyl-5,6-dihydrobenzo[h]quinolin-1-ium; trifluoromethanesulfonate Traditional Name: 1-(1-methylbutyl)-2,4-diphenyl-5,6-dihydrobenzo[h]quinolin-1-ium triflate Formula: C31H30F3NO3S MolecularWeight: 553.63501

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(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

CCCC(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/C30H30N.CHF3O3S/c1-3-12-22(2)31-29(25-16-8-5-9-17-25)21-28(23-13-6-4-7-14-23)27-20-19-24-15-10-11-18-26(24)30(27)31;2-1(3,4)8(5,6)7/h4-11,13-18,21-22H,3,12,19-20H2,1-2H3;(H,5,6,7)/q+1;/p-1