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[N+](C)(C)CC#CCOC1=NOCC1.[Br-]

InChI InChI=1S/C10H17N2O2.BrH/c1-12(2,3)7-4-5-8-13-10-6-9-14-11-10;/h6-9H2,1-3H3;1H/q+1;/p-1

InChIKey OMZJEBASGVBPDJ-UHFFFAOYSA-M

Molecular Weight

277.16