hexadecyl-dimethyl-(1-phenylethyl)azanium bromide

Systemtic Name: hexadecyl-dimethyl-(1-phenylethyl)azanium bromide Openeye Name: hexadecyl-dimethyl-(1-phenylethyl)ammonium bromide CAS Name: hexadecyl-dimethyl-(1-phenylethyl)ammonium bromide IUPAC Name: hexadecyl-dimethyl-(1-phenylethyl)azanium bromide Traditional Name: cetyl-dimethyl-(1-phenylethyl)ammonium bromide Formula: C26H48BrN MolecularWeight: 454.57002

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H48N.BrH/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-21-24-27(3,4)25(2)26-22-19-18-20-23-26;/h18-20,22-23,25H,5-17,21,24H2,1-4H3;1H/q+1;/p-1