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 CCC(=O)N(c1ccccc1CC)C1CCN(CCc2ccccc2)CC1

InChI

InChI=1S/C24H32N2O/c1-3-21-12-8-9-13-23(21)26(24(27)4-2)22-15-18-25(19-16-22)17-14-20-10-6-5-7-11-20/h5-13,22H,3-4,14-19H2,1-2H3

InChIKey XRTWIDDULDZTEI-UHFFFAOYSA-N

Molecular Weight

364.53