Daniel Lowe

The error is technically misworded, and probably should be more like the error you get from say "dihydroethene", which focuses on there being no applicable cyclic atoms. No cases immediately...

**Original comment by Daniel Lowe (Bitbucket: [dan2097](https://bitbucket.org/dan2097), GitHub: [dan2097](https://github.com/dan2097)).** ---------------------------------------- Endo (and exo/syn/anti) indicate stereochemistry of bicyclo systems so if you want the structure without stereochemistry just remove that section...

**Original comment by Daniel Lowe (Bitbucket: [dan2097](https://bitbucket.org/dan2097), GitHub: [dan2097](https://github.com/dan2097)).** ---------------------------------------- This type of stereochemistry is now parsed but not interpretable. From the command line/API the warnRatherThanFailOnUninterpretableStereochemistry option can be used...

**Original comment by Daniel Lowe (Bitbucket: [dan2097](https://bitbucket.org/dan2097), GitHub: [dan2097](https://github.com/dan2097)).** ---------------------------------------- Looks like Bitbucket's Markdown screwed up the SMILES, I assume it was supposed to read: C[C@H]1C[C@H]\(CO\)C1 I've talked with John...

**Original comment by pmortenson (Bitbucket: [pmortenson](https://bitbucket.org/pmortenson), ).** ---------------------------------------- Thanks for your reply. Isn't the "enantiomer" the same compound here, as you can simply rotate by 180 around the 1-3 axis?...

**Original comment by Daniel Lowe (Bitbucket: [dan2097](https://bitbucket.org/dan2097), GitHub: [dan2097](https://github.com/dan2097)).** ---------------------------------------- Sorry I've used the completely wrong term, the enantiomer would indeed be the same compound. I'm not sure what exactly...

**Original comment by pmortenson (Bitbucket: [pmortenson](https://bitbucket.org/pmortenson), ).** ---------------------------------------- Thanks for clarifying. I didn't know you could import single molecules by name into MarvinSketch, that's a handy tip!

I think in principle OPSIN should give the same interpretation for both names. In practice OPSIN currently applies the ium suffix before the indicated hydrogen is considered, and hence interprets...

Fixing it in the way I described is unfortunately quite involved. According to ChEBI (https://www.ebi.ac.uk/chebi/searchId.do?chebiId=50059) imidazolium typically refers to 1H-imidazol-3-ium hence in the above commit I've made the far simple...

I've updated the web interface