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 CCN(CC)C(=O)C1(c2ccccc2)C(CN)C1(C)C

InChI InChI=1S/C17H26N2O/c1-5-19(6-2)15(20)17(13-10-8-7-9-11-13)14(12-18)16(17,3)4/h7-11,14H,5-6,12,18H2,1-4H3

InChIKey NGJYHUYANNRTCI-UHFFFAOYSA-N

Molecular Weight

274.41