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 NCCCCN(Cc1ncccc1O)C1CCCc2cccnc21

InChI

InChI=1S/C19H26N4O/c20-10-1-2-13-23(14-16-18(24)9-5-11-21-16)17-8-3-6-15-7-4-12-22-19(15)17/h4-5,7,9,11-12,17,24H,1-3,6,8,10,13-14,20H2

InChIKey GERGOAXTCRQJLH-UHFFFAOYSA-N

Molecular Weight

326.44