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 CCCCO/N=C/[C@H]1CN2CC[C@H]1C2

InChI InChI=1S/C11H20N2O/c1-2-3-6-14-12-7-11-9-13-5-4-10(11)8-13/h7,10-11H,2-6,8-9H2,1H3/b12-7+/t10-,11-/m0/s1

InChIKey OSBXROSIPIIMCU-WKRXVSLGSA-N

Molecular Weight

196.29