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 CCCN(Cc1ccco1)[C@@H]1CCc2c(cccc2OC)C1

InChI

InChI=1S/C19H25NO2/c1-3-11-20(14-17-7-5-12-22-17)16-9-10-18-15(13-16)6-4-8-19(18)21-2/h4-8,12,16H,3,9-11,13-14H2,1-2H3/t16-/m1/s1

InChIKey WAKZRNAHRQKOQJ-MRXNPFEDSA-N

Molecular Weight

299.41