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 CCCN(CCC)C1CC=C(C#Cc2ccccc2)CC1

InChI InChI=1S/C20H27N/c1-3-16-21(17-4-2)20-14-12-19(13-15-20)11-10-18-8-6-5-7-9-18/h5-9,12,20H,3-4,13-17H2,1-2H3

InChIKey QQFDMLZEFWKHHH-UHFFFAOYSA-N

Molecular Weight

281.44