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 CCCN1CCc2c(Cl)ccc3c2C(CCC3)C1

InChI InChI=1S/C16H22ClN/c1-2-9-18-10-8-14-15(17)7-6-12-4-3-5-13(11-18)16(12)14/h6-7,13H,2-5,8-11H2,1H3

InChIKey BRAVFVMHIOBALC-UHFFFAOYSA-N

Molecular Weight

263.81