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 C=CCN1CC=C(C2=Cc3ccccc3Cc3ccccc32)CC1.Cl

InChI InChI=1S/C23H23N.ClH/c1-2-13-24-14-11-18(12-15-24)23-17-20-8-4-3-7-19(20)16-21-9-5-6-10-22(21)23;/h2-11,17H,1,12-16H2;1H

InChIKey YBBWHVSKRCTMBS-UHFFFAOYSA-N

Molecular Weight

349.91