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 Br.CN(C)C[C@@H](O)C(c1ccccc1)c1ccccc1

InChI InChI=1S/C17H21NO.BrH/c1-18(2)13-16(19)17(14-9-5-3-6-10-14)15-11-7-4-8-12-15;/h3-12,16-17,19H,13H2,1-2H3;1H/t16-;/m1./s1

InChIKey PEKNPSWNGOYWHG-PKLMIRHRSA-N

Molecular Weight

336.27