(1-phenyl-3-tetradecyl-icosyl)azanium bromide

Systemtic Name: (1-phenyl-3-tetradecyl-icosyl)azanium bromide Openeye Name: (1-phenyl-3-tetradecyl-icosyl)ammonium bromide CAS Name: (1-phenyl-3-tetradecyleicosyl)ammonium bromide IUPAC Name: (1-phenyl-3-tetradecylicosyl)azanium bromide Traditional Name: (3-myristyl-1-phenyl-eicosyl)ammonium bromide Formula: C40H76BrN MolecularWeight: 650.94214

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C40H75N.BrH/c1-3-5-7-9-11-13-15-17-18-19-21-23-25-27-30-34-38(37-40(41)39-35-31-28-32-36-39)33-29-26-24-22-20-16-14-12-10-8-6-4-2;/h28,31-32,35-36,38,40H,3-27,29-30,33-34,37,41H2,1-2H3;1H