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(c1ncc[nH]1)c1cccc2ccccc12.Cl

InChI InChI=1S/C15H14N2.ClH/c1-11(15-16-9-10-17-15)13-8-4-6-12-5-2-3-7-14(12)13;/h2-11H,1H3,(H,16,17);1H

InChIKey DETBHIQDVYYXAN-UHFFFAOYSA-N

Molecular Weight

258.75