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 CNCc1cc(C#CCCN2CCOCC2)ccc1Oc1ccccc1

InChI

InChI=1S/C22H26N2O2/c1-23-18-20-17-19(7-5-6-12-24-13-15-25-16-14-24)10-11-22(20)26-21-8-3-2-4-9-21/h2-4,8-11,17,23H,6,12-16,18H2,1H3

InChIKey OICXGVDCXUDGKS-UHFFFAOYSA-N

Molecular Weight

350.46