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 CCCN1CCc2cccc3c2[C@H]1Cc1ccc(C)c(O)c1-3

InChI

InChI=1S/C20H23NO/c1-3-10-21-11-9-14-5-4-6-16-18(14)17(21)12-15-8-7-13(2)20(22)19(15)16/h4-8,17,22H,3,9-12H2,1-2H3/t17-/m1/s1

InChIKey OJGAXSYOOYSPGN-QGZVFWFLSA-N

Molecular Weight

293.41