(4-bromophenyl)-(1-methylpyridin-1-ium-4-yl)methanone tetrafluoroborate

Systemtic Name: (4-bromophenyl)-(1-methylpyridin-1-ium-4-yl)methanone tetrafluoroborate Openeye Name: (4-bromophenyl)-(1-methylpyridin-1-ium-4-yl)methanone tetrafluoroborate CAS Name: (4-bromophenyl)-(1-methyl-4-pyridin-1-iumyl)methanone tetrafluoroborate IUPAC Name: (4-bromophenyl)-(1-methylpyridin-1-ium-4-yl)methanone tetrafluoroborate Traditional Name: (4-bromophenyl)-(1-methylpyridin-1-ium-4-yl)methanone tetrafluoroborate Formula: C13H11BBrF4NO MolecularWeight: 363.941153

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H11BrNO.BF4/c1-15-8-6-11(7-9-15)13(16)10-2-4-12(14)5-3-10;2-1(3,4)5/h2-9H,1H3;/q+1;-1