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 Cc1cc(C(C)C)cc(C)c1CC1=NCCN1

InChI InChI=1S/C15H22N2/c1-10(2)13-7-11(3)14(12(4)8-13)9-15-16-5-6-17-15/h7-8,10H,5-6,9H2,1-4H3,(H,16,17)

InChIKey NTSMKZTVZAMTDB-UHFFFAOYSA-N

Molecular Weight

230.35