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 CC1(C)C(CN)C1(C(=O)N1CCc2ccccc21)c1ccccc1

InChI

InChI=1S/C21H24N2O/c1-20(2)18(14-22)21(20,16-9-4-3-5-10-16)19(24)23-13-12-15-8-6-7-11-17(15)23/h3-11,18H,12-14,22H2,1-2H3

InChIKey RHHBTYFKWRRJPP-UHFFFAOYSA-N

Molecular Weight

320.44