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 C=CCN1CC[C@@H]2Cc3cccc(OC)c3C[C@@H]21

InChI InChI=1S/C16H21NO/c1-3-8-17-9-7-13-10-12-5-4-6-16(18-2)14(12)11-15(13)17/h3-6,13,15H,1,7-11H2,2H3/t13-,15+/m1/s1

InChIKey RRAWYIITFCQESJ-HIFRSBDPSA-N

Molecular Weight

243.35