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 c1ccc(CCCCCN2CCCCC2Cc2ccccc2)cc1

InChI

InChI=1S/C23H31N/c1-4-12-21(13-5-1)14-8-3-10-18-24-19-11-9-17-23(24)20-22-15-6-2-7-16-22/h1-2,4-7,12-13,15-16,23H,3,8-11,14,17-20H2

InChIKey MRFAXCRKEPEXIC-UHFFFAOYSA-N

Molecular Weight

321.51