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 CCCN1CCOC(c2cccc(OC)c2)C1

InChI InChI=1S/C14H21NO2/c1-3-7-15-8-9-17-14(11-15)12-5-4-6-13(10-12)16-2/h4-6,10,14H,3,7-9,11H2,1-2H3

InChIKey BLVMMLMFXYKMPX-UHFFFAOYSA-N

Molecular Weight

235.33