2-(2-octadecylphenyl)propan-2-ylazanium bromide

Systemtic Name: 2-(2-octadecylphenyl)propan-2-ylazanium bromide Openeye Name: [1-methyl-1-(2-octadecylphenyl)ethyl]ammonium bromide CAS Name: 2-(2-octadecylphenyl)propan-2-ylammonium bromide IUPAC Name: 2-(2-octadecylphenyl)propan-2-ylazanium bromide Traditional Name: [1-methyl-1-(2-stearylphenyl)ethyl]ammonium bromide Formula: C27H50BrN MolecularWeight: 468.5966

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCC1=CC=CC=C1C(C)(C)[NH3+].[Br-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCCC1=CC=CC=C1C(C)(C)[NH3+].[Br-]

InChI

InChI=1S/C27H49N.BrH/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-25-23-20-21-24-26(25)27(2,3)28;/h20-21,23-24H,4-19,22,28H2,1-3H3;1H