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 CCCN(CCCC#N)C1CCc2c(O)cccc2C1

InChI InChI=1S/C17H24N2O/c1-2-11-19(12-4-3-10-18)15-8-9-16-14(13-15)6-5-7-17(16)20/h5-7,15,20H,2-4,8-9,11-13H2,1H3

InChIKey FOHUHYKENVAVAP-UHFFFAOYSA-N

Molecular Weight

272.39