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 CC[n+]1ccc(/C=C/c2ccc(N(C)C)cc2)c2ccccc21.[I-]

InChI InChI=1S/C21H23N2.HI/c1-4-23-16-15-18(20-7-5-6-8-21(20)23)12-9-17-10-13-19(14-11-17)22(2)3;/h5-16H,4H2,1-3H3;1H/q+1;/p-1

InChIKey JCZSVLFFRUHAFE-UHFFFAOYSA-M

Molecular Weight

430.33