hexadecyl(2-phenylpropan-2-yl)azanium bromide

Systemtic Name: hexadecyl(2-phenylpropan-2-yl)azanium bromide Openeye Name: hexadecyl-(1-methyl-1-phenyl-ethyl)ammonium bromide CAS Name: hexadecyl(2-phenylpropan-2-yl)ammonium bromide IUPAC Name: hexadecyl(2-phenylpropan-2-yl)azanium bromide Traditional Name: cetyl(cumyl)ammonium bromide Formula: C25H46BrN MolecularWeight: 440.54344

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC[NH2+]C(C)(C)C1=CC=CC=C1.[Br-]

Isomeric SMILES

CCCCCCCCCCCCCCCC[NH2+]C(C)(C)C1=CC=CC=C1.[Br-]

InChI

InChI=1S/C25H45N.BrH/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-20-23-26-25(2,3)24-21-18-17-19-22-24;/h17-19,21-22,26H,4-16,20,23H2,1-3H3;1H