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 CCC1=CC2CC(C1)Cc1nc3ccccc3c(N)c12.Cl

InChI

InChI=1S/C18H20N2.ClH/c1-2-11-7-12-9-13(8-11)17-16(10-12)20-15-6-4-3-5-14(15)18(17)19;/h3-6,8,12-13H,2,7,9-10H2,1H3,(H2,19,20);1H

InChIKey KZEUEEDMTMTYKT-UHFFFAOYSA-N

Molecular Weight

300.83