1-methylquinolin-1-ium-3-carbonitrile; tris(fluoranyl)methanesulfonate

Systemtic Name: 1-methylquinolin-1-ium-3-carbonitrile; tris(fluoranyl)methanesulfonate Openeye Name: 1-methylquinolin-1-ium-3-carbonitrile; trifluoromethanesulfonate CAS Name: 1-methyl-3-quinolin-1-iumcarbonitrile; trifluoromethanesulfonate IUPAC Name: 1-methylquinolin-1-ium-3-carbonitrile; trifluoromethanesulfonate Traditional Name: 1-methylquinolin-1-ium-3-carbonitrile triflate Formula: C12H9F3N2O3S MolecularWeight: 318.27167

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H9N2.CHF3O3S/c1-13-8-9(7-12)6-10-4-2-3-5-11(10)13;2-1(3,4)8(5,6)7/h2-6,8H,1H3;(H,5,6,7)/q+1;/p-1