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 CCCOc1nccnc1C1CN2CCC1CC2

InChI InChI=1S/C14H21N3O/c1-2-9-18-14-13(15-5-6-16-14)12-10-17-7-3-11(12)4-8-17/h5-6,11-12H,2-4,7-10H2,1H3

InChIKey OMUAJMMRMCPDBL-UHFFFAOYSA-N

Molecular Weight

247.34