(4-chlorophenyl)-(1-prop-2-enylpyridin-1-ium-2-yl)methanone; tris(fluoranyl)methanesulfonate

Systemtic Name: (4-chlorophenyl)-(1-prop-2-enylpyridin-1-ium-2-yl)methanone; tris(fluoranyl)methanesulfonate Openeye Name: (1-allylpyridin-1-ium-2-yl)-(4-chlorophenyl)methanone; trifluoromethanesulfonate CAS Name: (4-chlorophenyl)-(1-prop-2-enyl-2-pyridin-1-iumyl)methanone; trifluoromethanesulfonate IUPAC Name: (4-chlorophenyl)-(1-prop-2-enylpyridin-1-ium-2-yl)methanone; trifluoromethanesulfonate Traditional Name: (1-allylpyridin-1-ium-2-yl)-(4-chlorophenyl)methanone triflate Formula: C16H13ClF3NO4S MolecularWeight: 407.79193

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H13ClNO.CHF3O3S/c1-2-10-17-11-4-3-5-14(17)15(18)12-6-8-13(16)9-7-12;2-1(3,4)8(5,6)7/h2-9,11H,1,10H2;(H,5,6,7)/q+1;/p-1