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 CCC[C@@H]1C2CCC(C[C@@H]1c1ccc(Cl)cc1)N2C

InChI

InChI=1S/C17H24ClN/c1-3-4-15-16(12-5-7-13(18)8-6-12)11-14-9-10-17(15)19(14)2/h5-8,14-17H,3-4,9-11H2,1-2H3/t14?,15-,16+,17?/m0/s1

InChIKey LSFUFJYYLJNECE-VUROTCPHSA-N

Molecular Weight

277.84