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[N+]1(C)CCC[C@H]1/C=C1\CCCCC1=O

InChI InChI=1S/C13H22NO/c1-14(2)9-5-7-12(14)10-11-6-3-4-8-13(11)15/h10,12H,3-9H2,1-2H3/q+1/b11-10+/t12-/m0/s1

InChIKey QYDGJEBJULXXRZ-IIANPFDCSA-N

Molecular Weight

208.32