1,4-diazabicyclo[2.2.2]octan-3-yl(hexadecyl)azanium bromide

Systemtic Name: 1,4-diazabicyclo[2.2.2]octan-3-yl(hexadecyl)azanium bromide Openeye Name: 1,4-diazabicyclo[2.2.2]octan-3-yl(hexadecyl)ammonium bromide CAS Name: 1,4-diazabicyclo[2.2.2]octan-3-yl(hexadecyl)ammonium bromide IUPAC Name: 1,4-diazabicyclo[2.2.2]octan-3-yl(hexadecyl)azanium bromide Traditional Name: cetyl(1,4-diazabicyclo[2.2.2]octan-3-yl)ammonium bromide Formula: C22H46BrN3 MolecularWeight: 432.52474

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC[NH2+]C1CN2CCN1CC2.[Br-]

Isomeric SMILES

CCCCCCCCCCCCCCCC[NH2+]C1CN2CCN1CC2.[Br-]

InChI

InChI=1S/C22H45N3.BrH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-23-22-21-24-17-19-25(22)20-18-24;/h22-23H,2-21H2,1H3;1H