3-(3-hexadecylsulfanyl-2-methoxy-propyl)-1,3-thiazol-3-ium bromide

Systemtic Name: 3-(3-hexadecylsulfanyl-2-methoxy-propyl)-1,3-thiazol-3-ium bromide Openeye Name: 3-(3-hexadecylsulfanyl-2-methoxy-propyl)thiazol-3-ium bromide CAS Name: 3-[3-(hexadecylthio)-2-methoxypropyl]thiazol-3-ium bromide IUPAC Name: 3-(3-hexadecylsulfanyl-2-methoxypropyl)-1,3-thiazol-3-ium bromide Traditional Name: 3-[3-(cetylthio)-2-methoxy-propyl]thiazol-3-ium bromide Formula: C23H44BrNOS2 MolecularWeight: 494.63556

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCSCC(C[N+]1=CSC=C1)OC.[Br-]

Isomeric SMILES

CCCCCCCCCCCCCCCCSCC(C[N+]1=CSC=C1)OC.[Br-]

InChI

InChI=1S/C23H44NOS2.BrH/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-26-21-23(25-2)20-24-17-19-27-22-24;/h17,19,22-23H,3-16,18,20-21H2,1-2H3;1H/q+1;/p-1