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(=O)c1cccc2c1-c1cccc3c1[C@@H](C2)N(C)CC3

InChI InChI=1S/C19H19NO/c1-12(21)15-7-4-6-14-11-17-19-13(9-10-20(17)2)5-3-8-16(19)18(14)15/h3-8,17H,9-11H2,1-2H3/t17-/m1/s1

InChIKey ZAAVRXQHDCCUQJ-QGZVFWFLSA-N

Molecular Weight

277.37