1-methoxy-4-phenyl-pyridin-1-ium; tris(bromanyl)methylsulfonylbenzene; tetrafluoroborate

Systemtic Name: 1-methoxy-4-phenyl-pyridin-1-ium; tris(bromanyl)methylsulfonylbenzene; tetrafluoroborate Openeye Name: 1-methoxy-4-phenyl-pyridin-1-ium; tribromomethylsulfonylbenzene; tetrafluoroborate CAS Name: 1-methoxy-4-phenylpyridin-1-ium; tribromomethylsulfonylbenzene; tetrafluoroborate IUPAC Name: 1-methoxy-4-phenylpyridin-1-ium; tribromomethylsulfonylbenzene; tetrafluoroborate Traditional Name: 1-methoxy-4-phenyl-pyridin-1-ium; tribromomethylsulfonylbenzene; tetrafluoroborate Formula: C19H17BBr3F4NO3S MolecularWeight: 665.924793

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Descriptors Computed from Structure

Canonical SMILES:

[B-](F)(F)(F)F.CO[N+]1=CC=C(C=C1)C2=CC=CC=C2.C1=CC=C(C=C1)S(=O)(=O)C(Br)(Br)Br

Isomeric SMILES

[B-](F)(F)(F)F.CO[N+]1=CC=C(C=C1)C2=CC=CC=C2.C1=CC=C(C=C1)S(=O)(=O)C(Br)(Br)Br

InChI

InChI=1S/C12H12NO.C7H5Br3O2S.BF4/c1-14-13-9-7-12(8-10-13)11-5-3-2-4-6-11;8-7(9,10)13(11,12)6-4-2-1-3-5-6;2-1(3,4)5/h2-10H,1H3;1-5H;/q+1;;-1