[2-(4-ethylazonan-2-yl)-2-oxidanylidene-ethyl]-tris(4-octadecoxybutyl)azanium

Systemtic Name: [2-(4-ethylazonan-2-yl)-2-oxidanylidene-ethyl]-tris(4-octadecoxybutyl)azanium Openeye Name: [2-(4-ethylazonan-2-yl)-2-oxo-ethyl]-tris(4-octadecoxybutyl)ammonium CAS Name: [2-(4-ethyl-2-azonanyl)-2-oxoethyl]-tris(4-octadecoxybutyl)ammonium IUPAC Name: [2-(4-ethylazonan-2-yl)-2-oxoethyl]-tris(4-octadecoxybutyl)azanium Traditional Name: [2-(4-ethylazonan-2-yl)-2-keto-ethyl]-tris(4-stearyloxybutyl)ammonium Formula: C78H157N2O4+ MolecularWeight: 1187.09218

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOCCCC[N+](CCCCOCCCCCCCCCCCCCCCCCC)(CCCCOCCCCCCCCCCCCCCCCCC)CC(=O)C1CC(CCCCCN1)CC

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOCCCC[N+](CCCCOCCCCCCCCCCCCCCCCCC)(CCCCOCCCCCCCCCCCCCCCCCC)CC(=O)C1CC(CCCCCN1)CC

InChI

InChI=1S/C78H157N2O4/c1-5-9-12-15-18-21-24-27-30-33-36-39-42-45-48-57-68-82-71-60-54-65-80(75-78(81)77-74-76(8-4)63-52-51-53-64-79-77,66-55-61-72-83-69-58-49-46-43-40-37-34-31-28-25-22-19-16-13-10-6-2)67-56-62-73-84-70-59-50-47-44-41-38-35-32-29-26-23-20-17-14-11-7-3/h76-77,79H,5-75H2,1-4H3/q+1