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 CN1C2CCC1CC(N1CCN(c3ccccc3)C1=O)C2

InChI InChI=1S/C17H23N3O/c1-18-14-7-8-15(18)12-16(11-14)20-10-9-19(17(20)21)13-5-3-2-4-6-13/h2-6,14-16H,7-12H2,1H3

InChIKey BWPHGULCYNWJMW-UHFFFAOYSA-N

Molecular Weight

285.39