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)[C@@H]1CCn2c(C=O)ccc2C1

InChI InChI=1S/C15H24N2O/c1-3-8-16(9-4-2)13-7-10-17-14(11-13)5-6-15(17)12-18/h5-6,12-13H,3-4,7-11H2,1-2H3/t13-/m1/s1

InChIKey RIOOLQVLOZQLQJ-CYBMUJFWSA-N

Molecular Weight

248.37