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 CSc1ccc2[nH]cc(C3=CCN(C)CC3)c2c1

InChI InChI=1S/C15H18N2S/c1-17-7-5-11(6-8-17)14-10-16-15-4-3-12(18-2)9-13(14)15/h3-5,9-10,16H,6-8H2,1-2H3

InChIKey QDKLEDTZBFCGKD-UHFFFAOYSA-N

Molecular Weight

258.39