4-(1-hexadecylsulfanylpropan-2-yl)-4-methyl-morpholin-4-ium bromide

Systemtic Name: 4-(1-hexadecylsulfanylpropan-2-yl)-4-methyl-morpholin-4-ium bromide Openeye Name: 4-(2-hexadecylsulfanyl-1-methyl-ethyl)-4-methyl-morpholin-4-ium bromide CAS Name: 4-[1-(hexadecylthio)propan-2-yl]-4-methylmorpholin-4-ium bromide IUPAC Name: 4-(1-hexadecylsulfanylpropan-2-yl)-4-methylmorpholin-4-ium bromide Traditional Name: 4-[2-(cetylthio)-1-methyl-ethyl]-4-methyl-morpholin-4-ium bromide Formula: C24H50BrNOS MolecularWeight: 480.6289

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCSCC(C)[N+]1(CCOCC1)C.[Br-]

Isomeric SMILES

CCCCCCCCCCCCCCCCSCC(C)[N+]1(CCOCC1)C.[Br-]

InChI

InChI=1S/C24H50NOS.BrH/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-27-23-24(2)25(3)18-20-26-21-19-25;/h24H,4-23H2,1-3H3;1H/q+1;/p-1