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 CNC[C@@H](O)[C@H](c1ccccc1)N(C)c1ccccc1Cl

InChI

InChI=1S/C17H21ClN2O/c1-19-12-16(21)17(13-8-4-3-5-9-13)20(2)15-11-7-6-10-14(15)18/h3-11,16-17,19,21H,12H2,1-2H3/t16-,17+/m1/s1

InChIKey MYUDLLKSAURVGJ-SJORKVTESA-N

Molecular Weight

304.82