(5-octadecoxycarbonyl-4-propyl-octan-4-yl)azanium bromide

Systemtic Name: (5-octadecoxycarbonyl-4-propyl-octan-4-yl)azanium bromide Openeye Name: (2-octadecoxycarbonyl-1,1-dipropyl-pentyl)ammonium bromide CAS Name: [5-[octadecoxy(oxo)methyl]-4-propyloctan-4-yl]ammonium bromide IUPAC Name: (5-octadecoxycarbonyl-4-propyloctan-4-yl)azanium bromide Traditional Name: (1,1-dipropyl-2-stearyloxycarbonyl-pentyl)ammonium bromide Formula: C30H62BrNO2 MolecularWeight: 548.72278

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOC(=O)C(CCC)C(CCC)(CCC)[NH3+].[Br-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOC(=O)C(CCC)C(CCC)(CCC)[NH3+].[Br-]

InChI

InChI=1S/C30H61NO2.BrH/c1-5-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-27-33-29(32)28(24-6-2)30(31,25-7-3)26-8-4;/h28H,5-27,31H2,1-4H3;1H