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 CNC1CC(c2ccc(Br)cc2)c2ccccc21.Cl

InChI InChI=1S/C16H16BrN.ClH/c1-18-16-10-15(11-6-8-12(17)9-7-11)13-4-2-3-5-14(13)16;/h2-9,15-16,18H,10H2,1H3;1H

InChIKey ZGCDBBPLYVELNO-UHFFFAOYSA-N

Molecular Weight

338.68