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 CN1CCN(C2=Nc3ccccc3Oc3ccc(OS(C)(=O)=O)cc32)CC1

InChI

InChI=1S/C19H21N3O4S/c1-21-9-11-22(12-10-21)19-15-13-14(26-27(2,23)24)7-8-17(15)25-18-6-4-3-5-16(18)20-19/h3-8,13H,9-12H2,1-2H3

InChIKey LUZGPEPGAGXEQF-UHFFFAOYSA-N

Molecular Weight

387.46