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 CC1CCC(=O)N1CC#CCN1CCC1

InChI InChI=1S/C12H18N2O/c1-11-5-6-12(15)14(11)10-3-2-7-13-8-4-9-13/h11H,4-10H2,1H3

InChIKey RMHKTTNQONQQRB-UHFFFAOYSA-N

Molecular Weight

206.29