1-prop-2-ynylquinolin-1-ium; tris(fluoranyl)methanesulfonate

Systemtic Name: 1-prop-2-ynylquinolin-1-ium; tris(fluoranyl)methanesulfonate Openeye Name: 1-prop-2-ynylquinolin-1-ium; trifluoromethanesulfonate CAS Name: 1-prop-2-ynylquinolin-1-ium; trifluoromethanesulfonate IUPAC Name: 1-prop-2-ynylquinolin-1-ium; trifluoromethanesulfonate Traditional Name: 1-propargylquinolin-1-ium triflate Formula: C13H10F3NO3S MolecularWeight: 317.28361

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H10N.CHF3O3S/c1-2-9-13-10-5-7-11-6-3-4-8-12(11)13;2-1(3,4)8(5,6)7/h1,3-8,10H,9H2;(H,5,6,7)/q+1;/p-1