Hi all
babel -:"CCOC(=O)c1ccc([NH3+])cc1" -oinchi -xF
gives
InChI=1/C9H11NO2/c1-2-12-9(11)7-3-5-8(10)6-4-7/h3-6H,2,10H2,1H3/p+1/fC9H12NO2/h10H/q+1
but converting this InChI back to smiles gives CCOC(=O)c1ccc(cc1)[NH2+]
I use obabel -oinchi temp3.inchi -osmi
Any help appreciated
Best regards, Jan
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