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 CN1CCc2ccc3c4c2[C@H]1Cc1cccc(c1-4)[C@@H]3O

InChI

InChI=1S/C18H17NO/c1-19-8-7-10-5-6-13-17-15-11(9-14(19)16(10)17)3-2-4-12(15)18(13)20/h2-6,14,18,20H,7-9H2,1H3/t14-,18+/m1/s1

InChIKey HIYLSOSERAQOHL-KDOFPFPSSA-N

Molecular Weight

263.34