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(=O)NCCCCN1CCN(c2ccccc2)CC1

InChI InChI=1S/C16H25N3O/c1-15(20)17-9-5-6-10-18-11-13-19(14-12-18)16-7-3-2-4-8-16/h2-4,7-8H,5-6,9-14H2,1H3,(H,17,20)

InChIKey PMCPOKMLGYWWCE-UHFFFAOYSA-N

Molecular Weight

275.4