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 Oc1cc(N2CC3CC2CN3)cnc1Cl

InChI InChI=1S/C10H12ClN3O/c11-10-9(15)2-8(4-13-10)14-5-6-1-7(14)3-12-6/h2,4,6-7,12,15H,1,3,5H2

InChIKey ATZCFKPMQXDUNL-UHFFFAOYSA-N

Molecular Weight

225.68