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 C/C(CCC#CCN(C)C)=N\O

InChI InChI=1S/C9H16N2O/c1-9(10-12)7-5-4-6-8-11(2)3/h12H,5,7-8H2,1-3H3/b10-9+

InChIKey XAXOWOWRTQJPQD-MDZDMXLPSA-N

Molecular Weight

168.24