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 C[C@H]1OC[C@@H]([C@H]2CCC[N+]2(C)C)O1

InChI InChI=1S/C10H20NO2/c1-8-12-7-10(13-8)9-5-4-6-11(9,2)3/h8-10H,4-7H2,1-3H3/q+1/t8-,9+,10-/m0/s1

InChIKey UFHGKCOYPFIXDN-AEJSXWLSSA-N

Molecular Weight

186.27