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 NCCc1c[nH]c2ccc(OCC(=O)N3CCN(c4ccccc4CN)CC3)cc12

InChI

InChI=1S/C23H29N5O2/c24-8-7-18-15-26-21-6-5-19(13-20(18)21)30-16-23(29)28-11-9-27(10-12-28)22-4-2-1-3-17(22)14-25/h1-6,13,15,26H,7-12,14,16,24-25H2

InChIKey TVQPSMJUXKFWDB-UHFFFAOYSA-N

Molecular Weight

407.52