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 CCCN(CCC)[C@@H]1Cc2cccc3c2N(CC(=O)N3)C1

InChI

InChI=1S/C17H25N3O/c1-3-8-19(9-4-2)14-10-13-6-5-7-15-17(13)20(11-14)12-16(21)18-15/h5-7,14H,3-4,8-12H2,1-2H3,(H,18,21)/t14-/m1/s1

InChIKey LFWCFBPVPREGJJ-CQSZACIVSA-N

Molecular Weight

287.41