(2-methyl-2-phenyl-hexadecan-3-yl)azanium bromide

Systemtic Name: (2-methyl-2-phenyl-hexadecan-3-yl)azanium bromide Openeye Name: 1-(1-methyl-1-phenyl-ethyl)tetradecylammonium bromide CAS Name: (2-methyl-2-phenylhexadecan-3-yl)ammonium bromide IUPAC Name: (2-methyl-2-phenylhexadecan-3-yl)azanium bromide Traditional Name: 1-cumyltetradecylammonium bromide Formula: C23H42BrN MolecularWeight: 412.49028

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC(C(C)(C)C1=CC=CC=C1)[NH3+].[Br-]

Isomeric SMILES

CCCCCCCCCCCCCC(C(C)(C)C1=CC=CC=C1)[NH3+].[Br-]

InChI

InChI=1S/C23H41N.BrH/c1-4-5-6-7-8-9-10-11-12-13-17-20-22(24)23(2,3)21-18-15-14-16-19-21;/h14-16,18-19,22H,4-13,17,20,24H2,1-3H3;1H