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

Systemtic Name: 2-ethenyl-1-(3-phenylbut-3-enyl)pyridin-1-ium; tris(fluoranyl)methanesulfonate Openeye Name: 1-(3-phenylbut-3-enyl)-2-vinyl-pyridin-1-ium; trifluoromethanesulfonate CAS Name: 2-ethenyl-1-(3-phenylbut-3-enyl)pyridin-1-ium; trifluoromethanesulfonate IUPAC Name: 2-ethenyl-1-(3-phenylbut-3-enyl)pyridin-1-ium; trifluoromethanesulfonate Traditional Name: 1-(3-phenylbut-3-enyl)-2-vinyl-pyridin-1-ium triflate Formula: C18H18F3NO3S MolecularWeight: 385.40063

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=CC1=CC=CC=[N+]1CCC(=C)C2=CC=CC=C2.C(F)(F)(F)S(=O)(=O)[O-]

Isomeric SMILES

C=CC1=CC=CC=[N+]1CCC(=C)C2=CC=CC=C2.C(F)(F)(F)S(=O)(=O)[O-]

InChI

InChI=1S/C17H18N.CHF3O3S/c1-3-17-11-7-8-13-18(17)14-12-15(2)16-9-5-4-6-10-16;2-1(3,4)8(5,6)7/h3-11,13H,1-2,12,14H2;(H,5,6,7)/q+1;/p-1