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 C[N+](C)(C)CCOc1ccc2c3c(oc2c1)C(=O)c1ccccc1C3=O

InChI

InChI=1S/C21H20NO4/c1-22(2,3)10-11-25-13-8-9-16-17(12-13)26-21-18(16)19(23)14-6-4-5-7-15(14)20(21)24/h4-9,12H,10-11H2,1-3H3/q+1

InChIKey JPTVXMVUBZXIEM-UHFFFAOYSA-N

Molecular Weight

350.39