1-methyl-2-phenyl-quinolin-1-ium; tris(fluoranyl)methanesulfonate

Systemtic Name: 1-methyl-2-phenyl-quinolin-1-ium; tris(fluoranyl)methanesulfonate Openeye Name: 1-methyl-2-phenyl-quinolin-1-ium; trifluoromethanesulfonate CAS Name: 1-methyl-2-phenylquinolin-1-ium; trifluoromethanesulfonate IUPAC Name: 1-methyl-2-phenylquinolin-1-ium; trifluoromethanesulfonate Traditional Name: 1-methyl-2-phenyl-quinolin-1-ium triflate Formula: C17H14F3NO3S MolecularWeight: 369.35817

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(C=CC2=CC=CC=C21)C3=CC=CC=C3.C(F)(F)(F)S(=O)(=O)[O-]

Isomeric SMILES

C[N+]1=C(C=CC2=CC=CC=C21)C3=CC=CC=C3.C(F)(F)(F)S(=O)(=O)[O-]

InChI

InChI=1S/C16H14N.CHF3O3S/c1-17-15-10-6-5-9-14(15)11-12-16(17)13-7-3-2-4-8-13;2-1(3,4)8(5,6)7/h2-12H,1H3;(H,5,6,7)/q+1;/p-1