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 CC(C)=CCC/C(C)=C/CCNCCNC1C2CC3CC(C2)CC1C3

InChI

InChI=1S/C23H40N2/c1-17(2)6-4-7-18(3)8-5-9-24-10-11-25-23-21-13-19-12-20(15-21)16-22(23)14-19/h6,8,19-25H,4-5,7,9-16H2,1-3H3/b18-8+

InChIKey BSJOZSZOMSCBFP-QGMBQPNBSA-N

Molecular Weight

344.59