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/C(C)(C)NCCNC1C2CC3CC(C2)CC1C3

InChI

InChI=1S/C24H42N2/c1-17(2)7-6-8-18(3)16-24(4,5)26-10-9-25-23-21-12-19-11-20(14-21)15-22(23)13-19/h7,16,19-23,25-26H,6,8-15H2,1-5H3/b18-16+

InChIKey JANUHVZDGGWLEB-FBMGVBCBSA-N

Molecular Weight

358.61