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 C1CNC2(C1)C1CC3CC(C1)CC2C3

InChI InChI=1S/C13H21N/c1-2-13(14-3-1)11-5-9-4-10(7-11)8-12(13)6-9/h9-12,14H,1-8H2

InChIKey BCUHESAGKKNPKY-UHFFFAOYSA-N

Molecular Weight

191.32