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 CN1CCC(=C2c3ccccc3-c3ccccc32)CC1

InChI InChI=1S/C19H19N/c1-20-12-10-14(11-13-20)19-17-8-4-2-6-15(17)16-7-3-5-9-18(16)19/h2-9H,10-13H2,1H3

InChIKey SAPQBYOLPXMHJL-UHFFFAOYSA-N

Molecular Weight

261.37