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)CN(C)c1cc(-c2ccccc2)cc(-c2ccc(O)cc2)n1

InChI InChI=1S/C22H24N2O/c1-16(2)15-24(3)22-14-19(17-7-5-4-6-8-17)13-21(23-22)18-9-11-20(25)12-10-18/h4-14,16,25H,15H2,1-3H3

InChIKey QTFWAEIJPISIIW-UHFFFAOYSA-N

Molecular Weight

332.45