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 Clc1cccc2c1[C@H](c1ccccc1)CN1CCC[C@H]21

InChI

InChI=1S/C18H18ClN/c19-16-9-4-8-14-17-10-5-11-20(17)12-15(18(14)16)13-6-2-1-3-7-13/h1-4,6-9,15,17H,5,10-12H2/t15-,17+/m0/s1

InChIKey WSCXBXLVTABYHD-DOTOQJQBSA-N

Molecular Weight

283.8