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 C1=C(c2ccccn2)C2CCN1CC2

InChI InChI=1S/C12H14N2/c1-2-6-13-12(3-1)11-9-14-7-4-10(11)5-8-14/h1-3,6,9-10H,4-5,7-8H2

InChIKey IISZJVUWBJLLKN-UHFFFAOYSA-N

Molecular Weight

186.26