Formal Charge : Convert chem draw cdx file to smi file

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Formal Charge : Convert chem draw cdx file to smi file

澤田敏彦
Hi all,

Thank you so much for your kind advice and great efforts.

Could you please teach me how to convert
 "chem draw cdx file" to "smi file"
with keeping the formal charges of atoms.

i have used OpenBabel2.3.2a_Windows.


Examples:

ChemDraw cdx binary files,

1. -NO2 (character typing "NO2" )
   or drawing -N+(=O)(O-) with atomic formal charges

2. Methyl-pyridinium

3. Trimethyl amine oxide

4. C=NPh (charactor typing "NPh", not drawing "C=N-Ph" )


Preferred smi files,

1. [N+](=O)[O-]     (Not [N](=O)O )

2. C[n+]1ccccc1     (Not c1ccccn1C )

3. C[N+](C)(C)[O-]  (Not C[N](O)(C)(C) )

4. C=Nc1ccccc1      (Not CNc1ccccc1 )


Regards,
Sauber


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