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 Oc1ccccc1-c1ccc(CNCC2CCNCC2)o1

InChI InChI=1S/C17H22N2O2/c20-16-4-2-1-3-15(16)17-6-5-14(21-17)12-19-11-13-7-9-18-10-8-13/h1-6,13,18-20H,7-12H2

InChIKey WHQSORLXQGLGAO-UHFFFAOYSA-N

Molecular Weight

286.38