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 N#Cc1ccc([C@@H]2CN3CCC[C@@H]3c3ccccc32)cc1

InChI

InChI=1S/C19H18N2/c20-12-14-7-9-15(10-8-14)18-13-21-11-3-6-19(21)17-5-2-1-4-16(17)18/h1-2,4-5,7-10,18-19H,3,6,11,13H2/t18-,19+/m0/s1

InChIKey MEFHMLXHQQALTE-RBUKOAKNSA-N

Molecular Weight

274.37