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#CCN(C)CCCOc1ccc(N(C)C(=O)c2cc(C(C)C)c(O)cc2O)cc1Cl

InChI

InChI=1S/C24H29ClN2O4/c1-6-10-26(4)11-7-12-31-23-9-8-17(13-20(23)25)27(5)24(30)19-14-18(16(2)3)21(28)15-22(19)29/h1,8-9,13-16,28-29H,7,10-12H2,2-5H3

InChIKey JHKZNXCXUMFEOS-UHFFFAOYSA-N

Molecular Weight

444.96