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 CCCN1C[C@H]2c3c(cccc3OC)CC[C@H]21

InChI InChI=1S/C15H21NO/c1-3-9-16-10-12-13(16)8-7-11-5-4-6-14(17-2)15(11)12/h4-6,12-13H,3,7-10H2,1-2H3/t12-,13-/m1/s1

InChIKey WUKBUIWOSJSWRV-CHWSQXEVSA-N

Molecular Weight

231.34