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.Oc1cccc([C@@H]2CN3CCC[C@@H]3c3ccccc32)c1

InChI

InChI=1S/C18H19NO.BrH/c20-14-6-3-5-13(11-14)17-12-19-10-4-9-18(19)16-8-2-1-7-15(16)17;/h1-3,5-8,11,17-18,20H,4,9-10,12H2;1H/t17-,18+;/m0./s1

InChIKey ALFDXONUAOERSX-CJRXIRLBSA-N

Molecular Weight

346.27