1-but-3-enyl-2-(1-phenylethenyl)pyridin-1-ium; tris(fluoranyl)methanesulfonate

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

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Descriptors Computed from Structure

Canonical SMILES:

C=CCC[N+]1=CC=CC=C1C(=C)C2=CC=CC=C2.C(F)(F)(F)S(=O)(=O)[O-]

Isomeric SMILES

C=CCC[N+]1=CC=CC=C1C(=C)C2=CC=CC=C2.C(F)(F)(F)S(=O)(=O)[O-]

InChI

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