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 c1ccc2c(c1)CCCCC2CCN1CCN(c2cccc3c2OCCO3)CC1

InChI

InChI=1S/C25H32N2O2/c1-2-8-21(22-9-4-3-7-20(22)6-1)12-13-26-14-16-27(17-15-26)23-10-5-11-24-25(23)29-19-18-28-24/h3-5,7,9-11,21H,1-2,6,8,12-19H2

InChIKey GMDUZTVEAQHOPH-UHFFFAOYSA-N

Molecular Weight

392.54