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)c1ccccc1-c1c2ccc(N)cc2[o+]c2cc(N)ccc12

InChI

InChI=1S/C21H17N2O3/c1-25-21(24)15-5-3-2-4-14(15)20-16-8-6-12(22)10-18(16)26-19-11-13(23)7-9-17(19)20/h2-11H,22-23H2,1H3/q+1

InChIKey ZWODABSNRKVFCK-UHFFFAOYSA-N

Molecular Weight

345.38