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 Clc1ccccc1C1CNCc2cc(OCCCN3CCCCC3)ncc21

InChI

InChI=1S/C22H28ClN3O/c23-21-8-3-2-7-18(21)20-15-24-14-17-13-22(25-16-19(17)20)27-12-6-11-26-9-4-1-5-10-26/h2-3,7-8,13,16,20,24H,1,4-6,9-12,14-15H2

InChIKey KIFGUYTXOHEXTE-UHFFFAOYSA-N

Molecular Weight

385.94