1-(3-methylbut-3-enyl)-2-prop-1-en-2-yl-pyridin-1-ium; tris(fluoranyl)methanesulfonate

Systemtic Name: 1-(3-methylbut-3-enyl)-2-prop-1-en-2-yl-pyridin-1-ium; tris(fluoranyl)methanesulfonate Openeye Name: 2-isopropenyl-1-(3-methylbut-3-enyl)pyridin-1-ium; trifluoromethanesulfonate CAS Name: 1-(3-methylbut-3-enyl)-2-(1-methylethenyl)pyridin-1-ium; trifluoromethanesulfonate IUPAC Name: 1-(3-methylbut-3-enyl)-2-prop-1-en-2-ylpyridin-1-ium; trifluoromethanesulfonate Traditional Name: 2-isopropenyl-1-(3-methylbut-3-enyl)pyridin-1-ium triflate Formula: C14H18F3NO3S MolecularWeight: 337.35783

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)CC[N+]1=CC=CC=C1C(=C)C.C(F)(F)(F)S(=O)(=O)[O-]

Isomeric SMILES

CC(=C)CC[N+]1=CC=CC=C1C(=C)C.C(F)(F)(F)S(=O)(=O)[O-]

InChI

InChI=1S/C13H18N.CHF3O3S/c1-11(2)8-10-14-9-6-5-7-13(14)12(3)4;2-1(3,4)8(5,6)7/h5-7,9H,1,3,8,10H2,2,4H3;(H,5,6,7)/q+1;/p-1