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 c1ccc(-c2[nH]c3ccccc3c2C2CCCNC2)cc1

InChI InChI=1S/C19H20N2/c1-2-7-14(8-3-1)19-18(15-9-6-12-20-13-15)16-10-4-5-11-17(16)21-19/h1-5,7-8,10-11,15,20-21H,6,9,12-13H2

InChIKey FYHCOUIJWCQUMZ-UHFFFAOYSA-N

Molecular Weight

276.38