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)=CCC/C(C)=C/CNCCNC1C2CC3CC1CC(O)(C3)C2

InChI

InChI=1S/C22H38N2O/c1-16(2)5-4-6-17(3)7-8-23-9-10-24-21-19-11-18-12-20(21)15-22(25,13-18)14-19/h5,7,18-21,23-25H,4,6,8-15H2,1-3H3/b17-7+

InChIKey IZPXQAAGSHQWQM-REZTVBANSA-N

Molecular Weight

346.56