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 NCCCCN(Cc1ncccc1N)[C@H]1CCCc2cccnc21

InChI

InChI=1S/C19H27N5/c20-10-1-2-13-24(14-17-16(21)8-5-11-22-17)18-9-3-6-15-7-4-12-23-19(15)18/h4-5,7-8,11-12,18H,1-3,6,9-10,13-14,20-21H2/t18-/m0/s1

InChIKey MSZYGLCHDDNCLO-SFHVURJKSA-N

Molecular Weight

325.46