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(Nc1ccccc1)OC1CC2CCCC1N2

InChI InChI=1S/C14H18N2O2/c17-14(16-10-5-2-1-3-6-10)18-13-9-11-7-4-8-12(13)15-11/h1-3,5-6,11-13,15H,4,7-9H2,(H,16,17)

InChIKey BLXVLQQWVJDBTF-UHFFFAOYSA-N

Molecular Weight

246.31