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 COc1ccccc1-c1ccc(CNCC2CCNCC2)o1

InChI InChI=1S/C18H24N2O2/c1-21-17-5-3-2-4-16(17)18-7-6-15(22-18)13-20-12-14-8-10-19-11-9-14/h2-7,14,19-20H,8-13H2,1H3

InChIKey ORHWEHYRGXPLLA-UHFFFAOYSA-N

Molecular Weight

300.4