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 CN(C)C1CC(c2ccc(F)cc2)c2ccccc21.Cl

InChI InChI=1S/C17H18FN.ClH/c1-19(2)17-11-16(12-7-9-13(18)10-8-12)14-5-3-4-6-15(14)17;/h3-10,16-17H,11H2,1-2H3;1H

InChIKey HTDUITIECWAOFD-UHFFFAOYSA-N

Molecular Weight

291.8