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 CCN1CCN(c2cccc(Cl)c2)CC1

InChI InChI=1S/C12H17ClN2/c1-2-14-6-8-15(9-7-14)12-5-3-4-11(13)10-12/h3-5,10H,2,6-9H2,1H3

InChIKey OZSJNFWCZQEKCI-UHFFFAOYSA-N

Molecular Weight

224.73