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(O)CNCc1ccnc2ccc(OC)cc12

InChI InChI=1S/C15H20N2O2/c1-3-12(18)10-16-9-11-6-7-17-15-5-4-13(19-2)8-14(11)15/h4-8,12,16,18H,3,9-10H2,1-2H3

InChIKey VJKNDSDPZOBVFW-UHFFFAOYSA-N

Molecular Weight

260.34