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 CN1CCC2(CC1)CC(=O)CO2

InChI InChI=1S/C9H15NO2/c1-10-4-2-9(3-5-10)6-8(11)7-12-9/h2-7H2,1H3

InChIKey FJHMPUXUXLWLQG-UHFFFAOYSA-N

Molecular Weight

169.22