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 CCCN1[C@H](C)C[C@@H]2Cc3cccc(OC)c3C[C@@H]21

InChI

InChI=1S/C17H25NO/c1-4-8-18-12(2)9-14-10-13-6-5-7-17(19-3)15(13)11-16(14)18/h5-7,12,14,16H,4,8-11H2,1-3H3/t12-,14-,16+/m1/s1

InChIKey XIQFFWZUFKJVOP-XPKDYRNWSA-N

Molecular Weight

259.39