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 CC[C@H](C)[C@H](N)C(=O)N1CCCC1

InChI InChI=1S/C10H20N2O/c1-3-8(2)9(11)10(13)12-6-4-5-7-12/h8-9H,3-7,11H2,1-2H3/t8-,9-/m0/s1

InChIKey IMCMJLZQYAUSFW-IUCAKERBSA-N

Molecular Weight

184.28