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 CCC(=O)N[C@H]1CC[C@H](CCN2CCc3ccccc3C2)CC1

InChI

InChI=1S/C20H30N2O/c1-2-20(23)21-19-9-7-16(8-10-19)11-13-22-14-12-17-5-3-4-6-18(17)15-22/h3-6,16,19H,2,7-15H2,1H3,(H,21,23)/t16-,19-

InChIKey UVSHQUOFNSVIJR-RUCARUNLSA-N

Molecular Weight

314.47