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 Oc1c(Cl)cc(CN2CCCCC2)c2cccnc12

InChI InChI=1S/C15H17ClN2O/c16-13-9-11(10-18-7-2-1-3-8-18)12-5-4-6-17-14(12)15(13)19/h4-6,9,19H,1-3,7-8,10H2

InChIKey ULERRWVRHLPJJX-UHFFFAOYSA-N

Molecular Weight

276.77