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 CCN1CC=C(C2=Cc3ccccc3Oc3ccccc32)CC1.Cl

InChI

InChI=1S/C21H21NO.ClH/c1-2-22-13-11-16(12-14-22)19-15-17-7-3-5-9-20(17)23-21-10-6-4-8-18(19)21;/h3-11,15H,2,12-14H2,1H3;1H

InChIKey IHDIEDLHLXQGNQ-UHFFFAOYSA-N

Molecular Weight

339.87