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 Cc1cccc2c(=O)n(C3CN4CCC3CC4)ccc12

InChI InChI=1S/C17H20N2O/c1-12-3-2-4-15-14(12)7-10-19(17(15)20)16-11-18-8-5-13(16)6-9-18/h2-4,7,10,13,16H,5-6,8-9,11H2,1H3

InChIKey SHQROCKVBLOPEB-UHFFFAOYSA-N

Molecular Weight

268.36