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 COc1ccc2c(CCCCN3CCC(C)CC3)cccc2c1.Cl

InChI

InChI=1S/C21H29NO.ClH/c1-17-11-14-22(15-12-17)13-4-3-6-18-7-5-8-19-16-20(23-2)9-10-21(18)19;/h5,7-10,16-17H,3-4,6,11-15H2,1-2H3;1H

InChIKey AVNWMQBDLHCHGQ-UHFFFAOYSA-N

Molecular Weight

347.93