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 COc1cc2c(cc1Cc1ccccc1)CC[C@@H]1CNCCCN21

InChI

InChI=1S/C21H26N2O/c1-24-21-14-20-17(8-9-19-15-22-10-5-11-23(19)20)13-18(21)12-16-6-3-2-4-7-16/h2-4,6-7,13-14,19,22H,5,8-12,15H2,1H3/t19-/m1/s1

InChIKey JBGWELFZOGOSPC-LJQANCHMSA-N

Molecular Weight

322.45