hexadecyl-[1-(4-methoxyphenyl)ethyl]-dimethyl-azanium bromide

Systemtic Name: hexadecyl-[1-(4-methoxyphenyl)ethyl]-dimethyl-azanium bromide Openeye Name: hexadecyl-[1-(4-methoxyphenyl)ethyl]-dimethyl-ammonium bromide CAS Name: hexadecyl-[1-(4-methoxyphenyl)ethyl]-dimethylammonium bromide IUPAC Name: hexadecyl-[1-(4-methoxyphenyl)ethyl]-dimethylazanium bromide Traditional Name: cetyl-[1-(4-methoxyphenyl)ethyl]-dimethyl-ammonium bromide Formula: C27H50BrNO MolecularWeight: 484.596

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H50NO.BrH/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-24-28(3,4)25(2)26-20-22-27(29-5)23-21-26;/h20-23,25H,6-19,24H2,1-5H3;1H/q+1;/p-1