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 C=CCN1CC[C@H]2Cc3c(O)cccc3C[C@H]21

InChI InChI=1S/C15H19NO/c1-2-7-16-8-6-12-9-13-11(10-14(12)16)4-3-5-15(13)17/h2-5,12,14,17H,1,6-10H2/t12-,14+/m0/s1

InChIKey GNOHLPXINNYCLR-GXTWGEPZSA-N

Molecular Weight

229.32