2-methyl-3-prop-1-ynyl-quinolin-1-ium; tris(fluoranyl)methanesulfonate

Systemtic Name: 2-methyl-3-prop-1-ynyl-quinolin-1-ium; tris(fluoranyl)methanesulfonate Openeye Name: 2-methyl-3-prop-1-ynyl-quinolin-1-ium; trifluoromethanesulfonate CAS Name: 2-methyl-3-prop-1-ynylquinolin-1-ium; trifluoromethanesulfonate IUPAC Name: 2-methyl-3-prop-1-ynylquinolin-1-ium; trifluoromethanesulfonate Traditional Name: 2-methyl-3-prop-1-ynyl-quinolin-1-ium triflate Formula: C14H12F3NO3S MolecularWeight: 331.31019

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Descriptors Computed from Structure

Canonical SMILES:

CC#CC1=CC2=CC=CC=C2[NH+]=C1C.C(F)(F)(F)S(=O)(=O)[O-]

Isomeric SMILES

CC#CC1=CC2=CC=CC=C2[NH+]=C1C.C(F)(F)(F)S(=O)(=O)[O-]

InChI

InChI=1S/C13H11N.CHF3O3S/c1-3-6-11-9-12-7-4-5-8-13(12)14-10(11)2;2-1(3,4)8(5,6)7/h4-5,7-9H,1-2H3;(H,5,6,7)