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

Systemtic Name: 1-(3-bromanylbut-3-enyl)-2-ethenyl-pyridin-1-ium; tris(fluoranyl)methanesulfonate Openeye Name: 1-(3-bromobut-3-enyl)-2-vinyl-pyridin-1-ium; trifluoromethanesulfonate CAS Name: 1-(3-bromobut-3-enyl)-2-ethenylpyridin-1-ium; trifluoromethanesulfonate IUPAC Name: 1-(3-bromobut-3-enyl)-2-ethenylpyridin-1-ium; trifluoromethanesulfonate Traditional Name: 1-(3-bromobut-3-enyl)-2-vinyl-pyridin-1-ium triflate Formula: C12H13BrF3NO3S MolecularWeight: 388.20073

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=CC1=CC=CC=[N+]1CCC(=C)Br.C(F)(F)(F)S(=O)(=O)[O-]

Isomeric SMILES

C=CC1=CC=CC=[N+]1CCC(=C)Br.C(F)(F)(F)S(=O)(=O)[O-]

InChI

InChI=1S/C11H13BrN.CHF3O3S/c1-3-11-6-4-5-8-13(11)9-7-10(2)12;2-1(3,4)8(5,6)7/h3-6,8H,1-2,7,9H2;(H,5,6,7)/q+1;/p-1