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 Clc1ccc(-n2ccc(OCCOCCN3CCCCC3)n2)cc1Cl

InChI

InChI=1S/C18H23Cl2N3O2/c19-16-5-4-15(14-17(16)20)23-9-6-18(21-23)25-13-12-24-11-10-22-7-2-1-3-8-22/h4-6,9,14H,1-3,7-8,10-13H2

InChIKey AILGBBRMXHWWAF-UHFFFAOYSA-N

Molecular Weight

384.31