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 CNCCC[C@@H](c1cccs1)c1cccc2ccccc12.Cl

InChI

InChI=1S/C19H21NS.ClH/c1-20-13-5-11-18(19-12-6-14-21-19)17-10-4-8-15-7-2-3-9-16(15)17;/h2-4,6-10,12,14,18,20H,5,11,13H2,1H3;1H/t18-;/m1./s1

InChIKey RWMJVKUVPIHLMV-GMUIIQOCSA-N

Molecular Weight

331.91