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 Clc1ccc(C2CN3CCCC3c3cc(Cl)ccc32)cc1

InChI InChI=1S/C18H17Cl2N/c19-13-5-3-12(4-6-13)17-11-21-9-1-2-18(21)16-10-14(20)7-8-15(16)17/h3-8,10,17-18H,1-2,9,11H2

InChIKey AYPHLNYJPXDWTG-UHFFFAOYSA-N

Molecular Weight

318.25