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 CNCC[C@H](c1ccccc1)n1c(=O)n(C)c2ccccc21

InChI

InChI=1S/C18H21N3O/c1-19-13-12-15(14-8-4-3-5-9-14)21-17-11-7-6-10-16(17)20(2)18(21)22/h3-11,15,19H,12-13H2,1-2H3/t15-/m1/s1

InChIKey KNRWBQQXTOGVJT-OAHLLOKOSA-N

Molecular Weight

295.39