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 CCC(=O)NC1CCN(CCCN2C(=O)COc3ccccc32)CC1

InChI

InChI=1S/C19H27N3O3/c1-2-18(23)20-15-8-12-21(13-9-15)10-5-11-22-16-6-3-4-7-17(16)25-14-19(22)24/h3-4,6-7,15H,2,5,8-14H2,1H3,(H,20,23)

InChIKey AGKUUDUVMCFVHC-UHFFFAOYSA-N

Molecular Weight

345.44