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 Cc1cc(C(C)(C)C)cc(C)c1CCN

InChI InChI=1S/C14H23N/c1-10-8-12(14(3,4)5)9-11(2)13(10)6-7-15/h8-9H,6-7,15H2,1-5H3

InChIKey LTMDLAXVPFVGPB-UHFFFAOYSA-N

Molecular Weight

205.34