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 OC(c1ccc(F)cc1)C1CCN(CCCCc2ccccc2)CC1

InChI

InChI=1S/C22H28FNO/c23-21-11-9-19(10-12-21)22(25)20-13-16-24(17-14-20)15-5-4-8-18-6-2-1-3-7-18/h1-3,6-7,9-12,20,22,25H,4-5,8,13-17H2

InChIKey VDIAGIXWYFPSJN-UHFFFAOYSA-N

Molecular Weight

341.47