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 CC(C)=CN1CC[C@@]2(C)c3cc(O)ccc3C[C@H]1[C@H]2C

InChI

InChI=1S/C18H25NO/c1-12(2)11-19-8-7-18(4)13(3)17(19)9-14-5-6-15(20)10-16(14)18/h5-6,10-11,13,17,20H,7-9H2,1-4H3/t13-,17+,18-/m1/s1

InChIKey BANMEAHPJHZJKZ-JEBQAFNWSA-N

Molecular Weight

271.4