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 CCCCCCOc1nccnc1[C@H]1CN2CCC1C2

InChI

InChI=1S/C16H25N3O/c1-2-3-4-5-10-20-16-15(17-7-8-18-16)14-12-19-9-6-13(14)11-19/h7-8,13-14H,2-6,9-12H2,1H3/t13?,14-/m0/s1

InChIKey NFWZXXINCSENSK-KZUDCZAMSA-N

Molecular Weight

275.4