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]1Cc2cccc3ccc(=O)n(c23)C1

InChI InChI=1S/C18H24N2O/c1-3-10-19(11-4-2)16-12-15-7-5-6-14-8-9-17(21)20(13-16)18(14)15/h5-9,16H,3-4,10-13H2,1-2H3/t16-/m1/s1

InChIKey TZJYXVGLMBIOAB-MRXNPFEDSA-N

Molecular Weight

284.4