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 Cc1c[n+](C)cn1CC#CCN1CCCC1=O.[I-]

InChI InChI=1S/C13H18N3O.HI/c1-12-10-14(2)11-16(12)8-4-3-7-15-9-5-6-13(15)17;/h10-11H,5-9H2,1-2H3;1H/q+1;/p-1

InChIKey KWCRTVGXKRCRNF-UHFFFAOYSA-M

Molecular Weight

359.21