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 N=CCC(O)CC1CCN(c2ccccc2Oc2ccccc2)CC1

InChI

InChI=1S/C21H26N2O2/c22-13-10-18(24)16-17-11-14-23(15-12-17)20-8-4-5-9-21(20)25-19-6-2-1-3-7-19/h1-9,13,17-18,22,24H,10-12,14-16H2

InChIKey MOVYLDZUBGRMTA-UHFFFAOYSA-N

Molecular Weight

338.45