On Mon, Aug 10, 2009 at 12:43 PM, Evgueni Kolossov<ekolos...@gmail.com> wrote: > One more question about salts stripping - is there way to suppress charges? > Let's say you will remove [Na+] but the negative charge will be on anion. > How we can remove it? The same if you say removing [Cl-] and there will be > for example (R)3-NH+ we need to remove H+ from it. > Any thought about this?
You could loop through the molecule and set the formal charges to zero. You'll have to be figure out some way to solve the problems this will cause with nitro groups (and related substructures) though. -greg
