2-(2-hexadecylphenyl)propan-2-ylazanium bromide

Systemtic Name: 2-(2-hexadecylphenyl)propan-2-ylazanium bromide Openeye Name: [1-(2-hexadecylphenyl)-1-methyl-ethyl]ammonium bromide CAS Name: 2-(2-hexadecylphenyl)propan-2-ylammonium bromide IUPAC Name: 2-(2-hexadecylphenyl)propan-2-ylazanium bromide Traditional Name: [1-(2-cetylphenyl)-1-methyl-ethyl]ammonium bromide Formula: C25H46BrN MolecularWeight: 440.54344

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCC1=CC=CC=C1C(C)(C)[NH3+].[Br-]

Isomeric SMILES

CCCCCCCCCCCCCCCCC1=CC=CC=C1C(C)(C)[NH3+].[Br-]

InChI

InChI=1S/C25H45N.BrH/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-23-21-18-19-22-24(23)25(2,3)26;/h18-19,21-22H,4-17,20,26H2,1-3H3;1H