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 CC[N+](C)(C)CC#CCN1C(=O)CCC1C.[I-]

InChI InChI=1S/C13H23N2O.HI/c1-5-15(3,4)11-7-6-10-14-12(2)8-9-13(14)16;/h12H,5,8-11H2,1-4H3;1H/q+1;/p-1

InChIKey RFUBXIOWFAWDGY-UHFFFAOYSA-M

Molecular Weight

350.24