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 COc1ccccc1N1CCN(CCC2CCc3sccc3C2=O)CC1.Cl

InChI

InChI=1S/C21H26N2O2S.ClH/c1-25-19-5-3-2-4-18(19)23-13-11-22(12-14-23)10-8-16-6-7-20-17(21(16)24)9-15-26-20;/h2-5,9,15-16H,6-8,10-14H2,1H3;1H

InChIKey WBOOILBWEFGGBO-UHFFFAOYSA-N

Molecular Weight

406.98