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 NCCNC1C2CC3CC(C2)CC1C3

InChI InChI=1S/C12H22N2/c13-1-2-14-12-10-4-8-3-9(6-10)7-11(12)5-8/h8-12,14H,1-7,13H2

InChIKey LSZAYCTUPPKNOV-UHFFFAOYSA-N

Molecular Weight

194.32