2-ethenyl-1-(3-methylbut-3-enyl)pyridin-1-ium; tris(fluoranyl)methanesulfonate

Systemtic Name: 2-ethenyl-1-(3-methylbut-3-enyl)pyridin-1-ium; tris(fluoranyl)methanesulfonate Openeye Name: 1-(3-methylbut-3-enyl)-2-vinyl-pyridin-1-ium; trifluoromethanesulfonate CAS Name: 2-ethenyl-1-(3-methylbut-3-enyl)pyridin-1-ium; trifluoromethanesulfonate IUPAC Name: 2-ethenyl-1-(3-methylbut-3-enyl)pyridin-1-ium; trifluoromethanesulfonate Traditional Name: 1-(3-methylbut-3-enyl)-2-vinyl-pyridin-1-ium triflate Formula: C13H16F3NO3S MolecularWeight: 323.33125

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H16N.CHF3O3S/c1-4-12-7-5-6-9-13(12)10-8-11(2)3;2-1(3,4)8(5,6)7/h4-7,9H,1-2,8,10H2,3H3;(H,5,6,7)/q+1;/p-1