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 COc1ccccc1N1CCN(CCCN2C(=O)C3CCCCN3C2=O)CC1

InChI

InChI=1S/C21H30N4O3/c1-28-19-9-3-2-7-17(19)23-15-13-22(14-16-23)10-6-12-25-20(26)18-8-4-5-11-24(18)21(25)27/h2-3,7,9,18H,4-6,8,10-16H2,1H3

InChIKey COHPQAOBLGNNRV-UHFFFAOYSA-N

Molecular Weight

386.5