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=CCN1CCN(c2cccc(Cl)c2)CC1

InChI InChI=1S/C13H17ClN2/c1-2-6-15-7-9-16(10-8-15)13-5-3-4-12(14)11-13/h2-5,11H,1,6-10H2

InChIKey XEMWXLIWDOJAHL-UHFFFAOYSA-N

Molecular Weight

236.75