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 CC[C@@]1(c2ccccc2)OCC[C@@H](CCN)O1

InChI InChI=1S/C14H21NO2/c1-2-14(12-6-4-3-5-7-12)16-11-9-13(17-14)8-10-15/h3-7,13H,2,8-11,15H2,1H3/t13-,14-/m1/s1

InChIKey NNHCRVIMTXXWIF-ZIAGYGMSSA-N

Molecular Weight

235.33