2-[2-(2-pyridin-1-ium-1-ylbutylperoxy)ethoxy]ethyl 2-pyridin-1-ium-1-ylbutanoate

Systemtic Name: 2-[2-(2-pyridin-1-ium-1-ylbutylperoxy)ethoxy]ethyl 2-pyridin-1-ium-1-ylbutanoate Openeye Name: 2-[2-(2-pyridin-1-ium-1-ylbutylperoxy)ethoxy]ethyl 2-pyridin-1-ium-1-ylbutanoate CAS Name: 2-(1-pyridin-1-iumyl)butanoic acid 2-[2-[2-(1-pyridin-1-iumyl)butyldioxy]ethoxy]ethyl ester IUPAC Name: 2-[2-(2-pyridin-1-ium-1-ylbutylperoxy)ethoxy]ethyl 2-pyridin-1-ium-1-ylbutanoate Traditional Name: 2-pyridin-1-ium-1-ylbutyric acid 2-[2-(2-pyridin-1-ium-1-ylbutylperoxy)ethoxy]ethyl ester Formula: C22H32N2O5+2 MolecularWeight: 404.49988

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Descriptors Computed from Structure

Canonical SMILES:

CCC(COOCCOCCOC(=O)C(CC)[N+]1=CC=CC=C1)[N+]2=CC=CC=C2

Isomeric SMILES

CCC(COOCCOCCOC(=O)C(CC)[N+]1=CC=CC=C1)[N+]2=CC=CC=C2

InChI

InChI=1S/C22H32N2O5/c1-3-20(23-11-7-5-8-12-23)19-29-28-18-16-26-15-17-27-22(25)21(4-2)24-13-9-6-10-14-24/h5-14,20-21H,3-4,15-19H2,1-2H3/q+2