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 CCCCCn1c(C)cc(NCc2ccc(Cl)cc2)cc1=O

InChI InChI=1S/C18H23ClN2O/c1-3-4-5-10-21-14(2)11-17(12-18(21)22)20-13-15-6-8-16(19)9-7-15/h6-9,11-12,20H,3-5,10,13H2,1-2H3

InChIKey NTQIJMLBZYTGFD-UHFFFAOYSA-N

Molecular Weight

318.85