2,3-bis(oxidanyl)propyl-(3-hexadecylsulfanyl-2-methoxy-propyl)-dimethyl-azanium bromide

Systemtic Name: 2,3-bis(oxidanyl)propyl-(3-hexadecylsulfanyl-2-methoxy-propyl)-dimethyl-azanium bromide Openeye Name: 2,3-dihydroxypropyl-(3-hexadecylsulfanyl-2-methoxy-propyl)-dimethyl-ammonium bromide CAS Name: 2,3-dihydroxypropyl-[3-(hexadecylthio)-2-methoxypropyl]-dimethylammonium bromide IUPAC Name: 2,3-dihydroxypropyl-(3-hexadecylsulfanyl-2-methoxypropyl)-dimethylazanium bromide Traditional Name: [3-(cetylthio)-2-methoxy-propyl]-glyceryl-dimethyl-ammonium bromide Formula: C25H54BrNO3S MolecularWeight: 528.67016

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCSCC(C[N+](C)(C)CC(CO)O)OC.[Br-]

Isomeric SMILES

CCCCCCCCCCCCCCCCSCC(C[N+](C)(C)CC(CO)O)OC.[Br-]

InChI

InChI=1S/C25H54NO3S.BrH/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-30-23-25(29-4)21-26(2,3)20-24(28)22-27;/h24-25,27-28H,5-23H2,1-4H3;1H/q+1;/p-1