Hi,
In this webpage http://www.chemspider.com/Chemical-Structure.392223.html,
> the SMILES of the protonated imidazole is shown as “C1=C[NH+]=CN1”.
>
> Could you help to comment whether babel can produce this version of
> SMILES, and which version is better (or correct) ?
>
> Babel will always aromatize, as far I know. Starting from C1=C[NH+]=CN1,
obabel can only produce:
c1c[nH+]c[nH]1
But both smiles are correct. If one version should be better, it depends on
what you want to do with it.
Regards,
Pascal
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