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 C[N+](C)(C)CC1COC(c2ccccc2)(c2ccccc2)O1.[I-]

InChI

InChI=1S/C19H24NO2.HI/c1-20(2,3)14-18-15-21-19(22-18,16-10-6-4-7-11-16)17-12-8-5-9-13-17;/h4-13,18H,14-15H2,1-3H3;1H/q+1;/p-1

InChIKey WTMWKFHJJKIULW-UHFFFAOYSA-M

Molecular Weight

425.31