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 Br.CCSc1ccc(C2CN3CCCC3c3ccccc32)cc1

InChI

InChI=1S/C20H23NS.BrH/c1-2-22-16-11-9-15(10-12-16)19-14-21-13-5-8-20(21)18-7-4-3-6-17(18)19;/h3-4,6-7,9-12,19-20H,2,5,8,13-14H2,1H3;1H

InChIKey KRMZMRRUSDTZMP-UHFFFAOYSA-N

Molecular Weight

390.39