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 COc1ccccc1[C@@H]1CN2CCC[C@@H]2c2ccccc21

InChI

InChI=1S/C19H21NO/c1-21-19-11-5-4-9-16(19)17-13-20-12-6-10-18(20)15-8-3-2-7-14(15)17/h2-5,7-9,11,17-18H,6,10,12-13H2,1H3/t17-,18-/m1/s1

InChIKey WVYZLMJSNLVPPG-QZTJIDSGSA-N

Molecular Weight

279.38