hexadecyl-[2-[(4-methoxyphenyl)methyl-pyrimidin-2-yl-amino]ethyl]-dimethyl-azanium bromide

Systemtic Name: hexadecyl-[2-[(4-methoxyphenyl)methyl-pyrimidin-2-yl-amino]ethyl]-dimethyl-azanium bromide Openeye Name: hexadecyl-[2-[(4-methoxyphenyl)methyl-pyrimidin-2-yl-amino]ethyl]-dimethyl-ammonium bromide CAS Name: hexadecyl-[2-[(4-methoxyphenyl)methyl-(2-pyrimidinyl)amino]ethyl]-dimethylammonium bromide IUPAC Name: hexadecyl-[2-[(4-methoxyphenyl)methyl-pyrimidin-2-ylamino]ethyl]-dimethylazanium bromide Traditional Name: cetyl-dimethyl-[2-[p-anisyl(2-pyrimidyl)amino]ethyl]ammonium bromide Formula: C32H55BrN4O MolecularWeight: 591.7093

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC[N+](C)(C)CCN(CC1=CC=C(C=C1)OC)C2=NC=CC=N2.[Br-]

Isomeric SMILES

CCCCCCCCCCCCCCCC[N+](C)(C)CCN(CC1=CC=C(C=C1)OC)C2=NC=CC=N2.[Br-]

InChI

InChI=1S/C32H55N4O.BrH/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-27-36(2,3)28-26-35(32-33-24-19-25-34-32)29-30-20-22-31(37-4)23-21-30;/h19-25H,5-18,26-29H2,1-4H3;1H/q+1;/p-1