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)=C1c2ccccc2C=C(C2=CCN(C)CC2)c2ccccc21

InChI InChI=1S/C24H25N/c1-17(2)24-20-9-5-4-8-19(20)16-23(18-12-14-25(3)15-13-18)21-10-6-7-11-22(21)24/h4-12,16H,13-15H2,1-3H3

InChIKey BFTXVLUTUUBYLQ-UHFFFAOYSA-N

Molecular Weight

327.47