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 CNC1CCN(Cc2c(C)cc(C)c3[nH]ccc23)C(c2ccccc2)C1

InChI

InChI=1S/C23H29N3/c1-16-13-17(2)23-20(9-11-25-23)21(16)15-26-12-10-19(24-3)14-22(26)18-7-5-4-6-8-18/h4-9,11,13,19,22,24-25H,10,12,14-15H2,1-3H3

InChIKey WHSFJJAVNLAHGJ-UHFFFAOYSA-N

Molecular Weight

347.51