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 COc1ccccc1N1CCN(CCCCNC(=O)C2CCCCC2)CC1

InChI

InChI=1S/C22H35N3O2/c1-27-21-12-6-5-11-20(21)25-17-15-24(16-18-25)14-8-7-13-23-22(26)19-9-3-2-4-10-19/h5-6,11-12,19H,2-4,7-10,13-18H2,1H3,(H,23,26)

InChIKey NDSKONMZWSLWOI-UHFFFAOYSA-N

Molecular Weight

373.54