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 CCN(C)CC(O)C(c1ccccc1)c1ccccc1.Cl

InChI InChI=1S/C18H23NO.ClH/c1-3-19(2)14-17(20)18(15-10-6-4-7-11-15)16-12-8-5-9-13-16;/h4-13,17-18,20H,3,14H2,1-2H3;1H

InChIKey MREHRUKAKHVPLJ-UHFFFAOYSA-N

Molecular Weight

305.85