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 CC1c2ccccc2CCN1CC1=NCCN1.Cl.Cl

InChI InChI=1S/C14H19N3.2ClH/c1-11-13-5-3-2-4-12(13)6-9-17(11)10-14-15-7-8-16-14;;/h2-5,11H,6-10H2,1H3,(H,15,16);2*1H

InChIKey FNNXLMJATGEWQL-UHFFFAOYSA-N

Molecular Weight

302.25