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 c1cc2[nH]cc(CCCN3CCCCC3)c2cc1-n1cnnc1

InChI InChI=1S/C18H23N5/c1-2-8-22(9-3-1)10-4-5-15-12-19-18-7-6-16(11-17(15)18)23-13-20-21-14-23/h6-7,11-14,19H,1-5,8-10H2

InChIKey BVGIRRGCWWHUON-UHFFFAOYSA-N

Molecular Weight

309.42