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 CCCCNc1ccc(C(=O)OCC[N+](C)(C)CCCC)cc1

InChI InChI=1S/C19H32N2O2/c1-5-7-13-20-18-11-9-17(10-12-18)19(22)23-16-15-21(3,4)14-8-6-2/h9-12H,5-8,13-16H2,1-4H3/p+1

InChIKey GVEZNLXUGOVBIY-UHFFFAOYSA-O

Molecular Weight

321.49