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 NCC[C@H](NCc1ccccc1)C(=O)N1CCCCC1

InChI

InChI=1S/C16H25N3O/c17-10-9-15(16(20)19-11-5-2-6-12-19)18-13-14-7-3-1-4-8-14/h1,3-4,7-8,15,18H,2,5-6,9-13,17H2/t15-/m0/s1

InChIKey KKKYQQPCVXNMJV-HNNXBMFYSA-N

Molecular Weight

275.4