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 O=C(c1ccc(CO)o1)N1CCOC2(CCN(Cc3ccc(Cl)cc3)CC2)C1

InChI

InChI=1S/C21H25ClN2O4/c22-17-3-1-16(2-4-17)13-23-9-7-21(8-10-23)15-24(11-12-27-21)20(26)19-6-5-18(14-25)28-19/h1-6,25H,7-15H2

InChIKey XUEHBXCPZIUJTD-UHFFFAOYSA-N

Molecular Weight

404.89