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 NCC1CC1(C(=O)N1CCc2ccccc21)c1ccccc1

InChI InChI=1S/C19H20N2O/c20-13-16-12-19(16,15-7-2-1-3-8-15)18(22)21-11-10-14-6-4-5-9-17(14)21/h1-9,16H,10-13,20H2

InChIKey GAARSROYUMPZLY-UHFFFAOYSA-N

Molecular Weight

292.38