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 Br.CCCCCCCn1c2c(c(=N)c3c1CCC3)CCCC2

InChI InChI=1S/C19H30N2.BrH/c1-2-3-4-5-8-14-21-17-12-7-6-10-15(17)19(20)16-11-9-13-18(16)21;/h20H,2-14H2,1H3;1H

InChIKey OOJPLVZRYCGZCN-UHFFFAOYSA-N

Molecular Weight

367.38