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 COc1cc(CC(C)N)ccc1CCCc1ccccc1

InChI

InChI=1S/C19H25NO/c1-15(20)13-17-11-12-18(19(14-17)21-2)10-6-9-16-7-4-3-5-8-16/h3-5,7-8,11-12,14-15H,6,9-10,13,20H2,1-2H3

InChIKey AKYIEPLSCWRCPO-UHFFFAOYSA-N

Molecular Weight

283.41