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 Cc1ccc2[nH]c3cc[n+](C)cc3c2c1.[I-]

InChI InChI=1S/C13H12N2.HI/c1-9-3-4-12-10(7-9)11-8-15(2)6-5-13(11)14-12;/h3-8H,1-2H3;1H

InChIKey SJRRVCFKDUWHBE-UHFFFAOYSA-N

Molecular Weight

324.16