2-decanoyloxyethyl(heptatriacontan-19-yl)azanium bromide

Systemtic Name: 2-decanoyloxyethyl(heptatriacontan-19-yl)azanium bromide Openeye Name: 2-decanoyloxyethyl(1-octadecylnonadecyl)ammonium bromide CAS Name: heptatriacontan-19-yl-[2-(1-oxodecoxy)ethyl]ammonium bromide IUPAC Name: 2-decanoyloxyethyl(heptatriacontan-19-yl)azanium bromide Traditional Name: 2-capryloxyethyl(1-stearylnonadecyl)ammonium bromide Formula: C49H100BrNO2 MolecularWeight: 815.2278

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCC(CCCCCCCCCCCCCCCCCC)[NH2+]CCOC(=O)CCCCCCCCC.[Br-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCCC(CCCCCCCCCCCCCCCCCC)[NH2+]CCOC(=O)CCCCCCCCC.[Br-]

InChI

InChI=1S/C49H99NO2.BrH/c1-4-7-10-13-16-18-20-22-24-26-28-30-32-35-37-40-43-48(50-46-47-52-49(51)45-42-39-34-15-12-9-6-3)44-41-38-36-33-31-29-27-25-23-21-19-17-14-11-8-5-2;/h48,50H,4-47H2,1-3H3;1H