Identifier Cleaner

Convert between SMILES, InChI, InChIKey, and compound names. Supports PubChem name resolution as a fallback when the input is a common drug name.

Example: aspirin → CC(=O)Oc1ccccc1C(=O)O

Free Research Context Use this tool freely, then open the research home or demo workspace when you want project context.

Research home Demo workspace

Canonical SMILES Br.COc1ccc([C@@H]2CN3CCC[C@H]3c3ccccc32)cc1

InChI

InChI=1S/C19H21NO.BrH/c1-21-15-10-8-14(9-11-15)18-13-20-12-4-7-19(20)17-6-3-2-5-16(17)18;/h2-3,5-6,8-11,18-19H,4,7,12-13H2,1H3;1H/t18-,19-;/m0./s1

InChIKey RZBWEABVSPBQMN-HLRBRJAUSA-N

Molecular Weight

360.3