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 CCCCOc1nonc1OC1CN2CCC1CC2

InChI InChI=1S/C13H21N3O3/c1-2-3-8-17-12-13(15-19-14-12)18-11-9-16-6-4-10(11)5-7-16/h10-11H,2-9H2,1H3

InChIKey ZOGBYEPTUKDMKV-UHFFFAOYSA-N

Molecular Weight

267.33