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 CCC(C)CSC(=O)OCC[N+](C)(C)C.[Cl-]

InChI InChI=1S/C11H24NO2S.ClH/c1-6-10(2)9-15-11(13)14-8-7-12(3,4)5;/h10H,6-9H2,1-5H3;1H/q+1;/p-1

InChIKey YECKJXMBYHNNQS-UHFFFAOYSA-M

Molecular Weight

269.84