1-(2-hexadecylsulfanylpropyl)-1-methyl-pyrrolidin-1-ium bromide

Systemtic Name: 1-(2-hexadecylsulfanylpropyl)-1-methyl-pyrrolidin-1-ium bromide Openeye Name: 1-(2-hexadecylsulfanylpropyl)-1-methyl-pyrrolidin-1-ium bromide CAS Name: 1-[2-(hexadecylthio)propyl]-1-methylpyrrolidin-1-ium bromide IUPAC Name: 1-(2-hexadecylsulfanylpropyl)-1-methylpyrrolidin-1-ium bromide Traditional Name: 1-[2-(cetylthio)propyl]-1-methyl-pyrrolidin-1-ium bromide Formula: C24H50BrNS MolecularWeight: 464.6295

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCSC(C)C[N+]1(CCCC1)C.[Br-]

Isomeric SMILES

CCCCCCCCCCCCCCCCSC(C)C[N+]1(CCCC1)C.[Br-]

InChI

InChI=1S/C24H50NS.BrH/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-19-22-26-24(2)23-25(3)20-17-18-21-25;/h24H,4-23H2,1-3H3;1H/q+1;/p-1