(3-hexadecylsulfanyl-2-pentoxy-propyl)-trimethyl-azanium bromide

Systemtic Name: (3-hexadecylsulfanyl-2-pentoxy-propyl)-trimethyl-azanium bromide Openeye Name: (3-hexadecylsulfanyl-2-pentoxy-propyl)-trimethyl-ammonium bromide CAS Name: [3-(hexadecylthio)-2-pentoxypropyl]-trimethylammonium bromide IUPAC Name: (3-hexadecylsulfanyl-2-pentoxypropyl)-trimethylazanium bromide Traditional Name: [2-amoxy-3-(cetylthio)propyl]-trimethyl-ammonium bromide Formula: C27H58BrNOS MolecularWeight: 524.72452

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCSCC(C[N+](C)(C)C)OCCCCC.[Br-]

Isomeric SMILES

CCCCCCCCCCCCCCCCSCC(C[N+](C)(C)C)OCCCCC.[Br-]

InChI

InChI=1S/C27H58NOS.BrH/c1-6-8-10-11-12-13-14-15-16-17-18-19-20-22-24-30-26-27(25-28(3,4)5)29-23-21-9-7-2;/h27H,6-26H2,1-5H3;1H/q+1;/p-1