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

Systemtic Name: 1-phenethyl-2,4-diphenyl-5,6,7,8-tetrahydroquinolin-1-ium; tris(fluoranyl)methanesulfonate Openeye Name: 1-phenethyl-2,4-diphenyl-5,6,7,8-tetrahydroquinolin-1-ium; trifluoromethanesulfonate CAS Name: 1-phenethyl-2,4-diphenyl-5,6,7,8-tetrahydroquinolin-1-ium; trifluoromethanesulfonate IUPAC Name: 1-phenethyl-2,4-diphenyl-5,6,7,8-tetrahydroquinolin-1-ium; trifluoromethanesulfonate Traditional Name: 1-phenethyl-2,4-diphenyl-5,6,7,8-tetrahydroquinolin-1-ium triflate Formula: C30H28F3NO3S MolecularWeight: 539.60843

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=CC(=[N+]2CCC3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=C5.C(F)(F)(F)S(=O)(=O)[O-]

Isomeric SMILES

C1CCC2=C(C1)C(=CC(=[N+]2CCC3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=C5.C(F)(F)(F)S(=O)(=O)[O-]

InChI

InChI=1S/C29H28N.CHF3O3S/c1-4-12-23(13-5-1)20-21-30-28-19-11-10-18-26(28)27(24-14-6-2-7-15-24)22-29(30)25-16-8-3-9-17-25;2-1(3,4)8(5,6)7/h1-9,12-17,22H,10-11,18-21H2;(H,5,6,7)/q+1;/p-1