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 CCCCCN1CCN(c2cccc3c2OCCO3)CC1

InChI InChI=1S/C17H26N2O2/c1-2-3-4-8-18-9-11-19(12-10-18)15-6-5-7-16-17(15)21-14-13-20-16/h5-7H,2-4,8-14H2,1H3

InChIKey IRVZHMBTAZCKFA-UHFFFAOYSA-N

Molecular Weight

290.41