hexadecyl-dimethyl-(phenylmethyl)azanium bromide

Systemtic Name: hexadecyl-dimethyl-(phenylmethyl)azanium bromide Openeye Name: benzyl-hexadecyl-dimethyl-ammonium bromide CAS Name: hexadecyl-dimethyl-(phenylmethyl)ammonium bromide IUPAC Name: benzyl-hexadecyl-dimethylazanium bromide Traditional Name: benzyl-cetyl-dimethyl-ammonium bromide Formula: C25H46BrN MolecularWeight: 440.54344

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC[N+](C)(C)CC1=CC=CC=C1.[Br-]

Isomeric SMILES

CCCCCCCCCCCCCCCC[N+](C)(C)CC1=CC=CC=C1.[Br-]

InChI

InChI=1S/C25H46N.BrH/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-20-23-26(2,3)24-25-21-18-17-19-22-25;/h17-19,21-22H,4-16,20,23-24H2,1-3H3;1H/q+1;/p-1