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 c1ccc2c(c1)CCC2N1CCN(c2cccc3c2OCCO3)CC1

InChI InChI=1S/C21H24N2O2/c1-2-5-17-16(4-1)8-9-18(17)22-10-12-23(13-11-22)19-6-3-7-20-21(19)25-15-14-24-20/h1-7,18H,8-15H2

InChIKey SNGNTSVHSKKQEK-UHFFFAOYSA-N

Molecular Weight

336.44