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 COc1ccc2[nH]cc(CCC3CCNCC3)c2c1

InChI InChI=1S/C16H22N2O/c1-19-14-4-5-16-15(10-14)13(11-18-16)3-2-12-6-8-17-9-7-12/h4-5,10-12,17-18H,2-3,6-9H2,1H3

InChIKey IIKBAURXMKGMGY-UHFFFAOYSA-N

Molecular Weight

258.36