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 CCCN(C)C1CCc2cccc(OC)c2C1

InChI InChI=1S/C15H23NO/c1-4-10-16(2)13-9-8-12-6-5-7-15(17-3)14(12)11-13/h5-7,13H,4,8-11H2,1-3H3

InChIKey WRBAAJSAYGTSMA-UHFFFAOYSA-N

Molecular Weight

233.35