3-acetyloxyhexyl(heptadecan-9-yl)azanium bromide

Systemtic Name: 3-acetyloxyhexyl(heptadecan-9-yl)azanium bromide Openeye Name: 3-acetoxyhexyl(1-octylnonyl)ammonium bromide CAS Name: 3-acetyloxyhexyl(heptadecan-9-yl)ammonium bromide IUPAC Name: 3-acetyloxyhexyl(heptadecan-9-yl)azanium bromide Traditional Name: 3-acetoxyhexyl(1-octylnonyl)ammonium bromide Formula: C25H52BrNO2 MolecularWeight: 478.58988

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(CCCCCCCC)[NH2+]CCC(CCC)OC(=O)C.[Br-]

Isomeric SMILES

CCCCCCCCC(CCCCCCCC)[NH2+]CCC(CCC)OC(=O)C.[Br-]

InChI

InChI=1S/C25H51NO2.BrH/c1-5-8-10-12-14-16-19-24(20-17-15-13-11-9-6-2)26-22-21-25(18-7-3)28-23(4)27;/h24-26H,5-22H2,1-4H3;1H