1-(phenylmethyl)quinolin-1-ium; tris(fluoranyl)methanesulfonate

Systemtic Name: 1-(phenylmethyl)quinolin-1-ium; tris(fluoranyl)methanesulfonate Openeye Name: 1-benzylquinolin-1-ium; trifluoromethanesulfonate CAS Name: 1-(phenylmethyl)quinolin-1-ium; trifluoromethanesulfonate IUPAC Name: 1-benzylquinolin-1-ium; trifluoromethanesulfonate Traditional Name: 1-benzylquinolin-1-ium triflate Formula: C17H14F3NO3S MolecularWeight: 369.35817

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C[N+]2=CC=CC3=CC=CC=C32.C(F)(F)(F)S(=O)(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C[N+]2=CC=CC3=CC=CC=C32.C(F)(F)(F)S(=O)(=O)[O-]

InChI

InChI=1S/C16H14N.CHF3O3S/c1-2-7-14(8-3-1)13-17-12-6-10-15-9-4-5-11-16(15)17;2-1(3,4)8(5,6)7/h1-12H,13H2;(H,5,6,7)/q+1;/p-1