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 CCCCN1CCN(c2cccc(Cl)c2)CC1

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

InChIKey RFXLVCWTPBARCS-UHFFFAOYSA-N

Molecular Weight

252.79