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 O=C(CN1CCN(c2ccccc2F)CC1)c1ccc(O)c(O)c1

InChI InChI=1S/C18H19FN2O3/c19-14-3-1-2-4-15(14)21-9-7-20(8-10-21)12-18(24)13-5-6-16(22)17(23)11-13/h1-6,11,22-23H,7-10,12H2

InChIKey XYIQNDGIKADVPQ-UHFFFAOYSA-N

Molecular Weight

330.36