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 Cc1cc(-c2ccc(N3CCOCC3)cc2)nc2ccccc12

InChI InChI=1S/C20H20N2O/c1-15-14-20(21-19-5-3-2-4-18(15)19)16-6-8-17(9-7-16)22-10-12-23-13-11-22/h2-9,14H,10-13H2,1H3

InChIKey XGSZPPXEIDZEMS-UHFFFAOYSA-N

Molecular Weight

304.39