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 Cc1ccc(CC2=NCCN2)c(C)c1OCc1ccccc1

InChI InChI=1S/C19H22N2O/c1-14-8-9-17(12-18-20-10-11-21-18)15(2)19(14)22-13-16-6-4-3-5-7-16/h3-9H,10-13H2,1-2H3,(H,20,21)

InChIKey LIJQMQALAJSPSP-UHFFFAOYSA-N

Molecular Weight

294.4