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 CCC(C)N1CCN(c2cccc(Cl)c2)CC1

InChI InChI=1S/C14H21ClN2/c1-3-12(2)16-7-9-17(10-8-16)14-6-4-5-13(15)11-14/h4-6,11-12H,3,7-10H2,1-2H3

InChIKey INEJRUINWQMJAB-UHFFFAOYSA-N

Molecular Weight

252.79