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 COC(=O)[C@H]1C2CNCC(C2)c2cccc(=O)n21

InChI InChI=1S/C13H16N2O3/c1-18-13(17)12-9-5-8(6-14-7-9)10-3-2-4-11(16)15(10)12/h2-4,8-9,12,14H,5-7H2,1H3/t8?,9?,12-/m1/s1

InChIKey ASHKGQSWULXZOV-SHVIVCPWSA-N

Molecular Weight

248.28