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 CC[n+]1c2c(n(CC(C)C)c1C)C(=O)c1ccccc1C2=O.[Br-]

InChI

InChI=1S/C18H21N2O2.BrH/c1-5-19-12(4)20(10-11(2)3)16-15(19)17(21)13-8-6-7-9-14(13)18(16)22;/h6-9,11H,5,10H2,1-4H3;1H/q+1;/p-1

InChIKey PJOVZBZACIVDOX-UHFFFAOYSA-M

Molecular Weight

377.28