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.CSc1ccc(C2CN3CCCC3c3c(C)cccc32)cc1

InChI

InChI=1S/C20H23NS.BrH/c1-14-5-3-6-17-18(15-8-10-16(22-2)11-9-15)13-21-12-4-7-19(21)20(14)17;/h3,5-6,8-11,18-19H,4,7,12-13H2,1-2H3;1H

InChIKey RJMQLKMNVWCWPA-UHFFFAOYSA-N

Molecular Weight

390.39