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 CCCN(CCC)[C@H]1CCn2c(ccc2CN(C)C)C1

InChI InChI=1S/C17H31N3/c1-5-10-19(11-6-2)15-9-12-20-16(13-15)7-8-17(20)14-18(3)4/h7-8,15H,5-6,9-14H2,1-4H3/t15-/m0/s1

InChIKey ZJULUTHVMWQMLJ-HNNXBMFYSA-N

Molecular Weight

277.46