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 CCCCCCOc1nsnc1[C@H]1CN2CC[C@H]1C2

InChI InChI=1S/C14H23N3OS/c1-2-3-4-5-8-18-14-13(15-19-16-14)12-10-17-7-6-11(12)9-17/h11-12H,2-10H2,1H3/t11-,12-/m0/s1

InChIKey QPDGXKXJLDKIHO-RYUDHWBXSA-N

Molecular Weight

281.43