Aromatic nitrogen and explicit hydrogen atoms

User 1aed78f6c4

10-04-2015 06:11:24

It seemed that inserting an H-atom for the N-atoms such as c1cc2c3cn([H])cc3ccc2c2cCcc12 for the pyroles is necessary  for molconvert to work. I think that defining an aromatic n is not enough. Can someone confirm that? And if there is a way around this, since we like to keep the nitrogens in the pyroles as "n" instead of "n([H])". Thanks,


 


 


 


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ChemAxon 2cd598e7ad

15-04-2015 11:35:07

Hi,


Sorry for the late answer.
I've tried the latest version available on the site and converted the given smiles (with or without ([H])) to mrv, mol, and smarts without any problem. Can you please explain your use case and the point where you expect different behaviour?


Best regards,
Domi