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 COc1oc(C2=CCCN(C)C2)nc1CC(C)C

InChI InChI=1S/C14H22N2O2/c1-10(2)8-12-14(17-4)18-13(15-12)11-6-5-7-16(3)9-11/h6,10H,5,7-9H2,1-4H3

InChIKey OMPNFFLRCSKMNB-UHFFFAOYSA-N

Molecular Weight

250.34