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 Clc1cccc(CC2(COc3cccnc3)CCCNC2)c1

InChI

InChI=1S/C18H21ClN2O/c19-16-5-1-4-15(10-16)11-18(7-3-9-21-13-18)14-22-17-6-2-8-20-12-17/h1-2,4-6,8,10,12,21H,3,7,9,11,13-14H2

InChIKey LYNAALWPKVUCHQ-UHFFFAOYSA-N

Molecular Weight

316.83