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

Systemtic Name: 2,4-diphenyl-1-pyrimidin-2-yl-5,6-dihydrobenzo[h]quinolin-1-ium; tris(fluoranyl)methanesulfonate Openeye Name: 2,4-diphenyl-1-pyrimidin-2-yl-5,6-dihydrobenzo[h]quinolin-1-ium; trifluoromethanesulfonate CAS Name: 2,4-diphenyl-1-(2-pyrimidinyl)-5,6-dihydrobenzo[h]quinolin-1-ium; trifluoromethanesulfonate IUPAC Name: 2,4-diphenyl-1-pyrimidin-2-yl-5,6-dihydrobenzo[h]quinolin-1-ium; trifluoromethanesulfonate Traditional Name: 2,4-diphenyl-1-(2-pyrimidyl)-5,6-dihydrobenzo[h]quinolin-1-ium triflate Formula: C30H22F3N3O3S MolecularWeight: 561.57419

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C3=CC=CC=C31)[N+](=C(C=C2C4=CC=CC=C4)C5=CC=CC=C5)C6=NC=CC=N6.C(F)(F)(F)S(=O)(=O)[O-]

Isomeric SMILES

C1CC2=C(C3=CC=CC=C31)[N+](=C(C=C2C4=CC=CC=C4)C5=CC=CC=C5)C6=NC=CC=N6.C(F)(F)(F)S(=O)(=O)[O-]

InChI

InChI=1S/C29H22N3.CHF3O3S/c1-3-10-21(11-4-1)26-20-27(23-13-5-2-6-14-23)32(29-30-18-9-19-31-29)28-24-15-8-7-12-22(24)16-17-25(26)28;2-1(3,4)8(5,6)7/h1-15,18-20H,16-17H2;(H,5,6,7)/q+1;/p-1