Standardization of N-Oxide error ?

User 7b0ee04e66

10-03-2008 10:05:35

Good morning,

I am using Standardizer (JChem 3.2.6) and have noticed that the following happens to my molecule

Code:

select jc_Standardize('C[N+](C)([O-])C1CCCCC1', 'sep=! config:tautomerize..!cleaningTemplate:select ''null'' from dual!outFormat:smiles') as product

from dual

This returns 'CN(C)(O)=C1CCCCC1', which means that the Nitrogen has become pentavalent.

I expected the molecule to be returned unchanged?

Is this a bug?

Thanks

Catherine

ChemAxon e08c317633

10-03-2008 19:59:46

Hi Catherine,

We are examining the problem and will get back to you soon.

Zsolt

User 851ac690a0

12-03-2008 01:15:00

Hi,

Yes, this is a bug. It will be fixed in the 5.0.2 version which will be released next week.

Cheers,

Jozsi

User 7b0ee04e66

12-03-2008 08:16:07

Thank you very much for your help.

Catherine