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 O=C(NC[C@@H]1CCCN1CCc1ccccc1)C1CCCCC1

InChI

InChI=1S/C20H30N2O/c23-20(18-10-5-2-6-11-18)21-16-19-12-7-14-22(19)15-13-17-8-3-1-4-9-17/h1,3-4,8-9,18-19H,2,5-7,10-16H2,(H,21,23)/t19-/m0/s1

InChIKey LJIIUDVZDYITID-IBGZPJMESA-N

Molecular Weight

314.47