1-(3-hexadecylsulfanylpropyl)-1-methyl-pyrrol-1-ium-3-ol bromide

Systemtic Name: 1-(3-hexadecylsulfanylpropyl)-1-methyl-pyrrol-1-ium-3-ol bromide Openeye Name: 1-(3-hexadecylsulfanylpropyl)-1-methyl-pyrrol-1-ium-3-ol bromide CAS Name: 1-[3-(hexadecylthio)propyl]-1-methyl-3-pyrrol-1-iumol bromide IUPAC Name: 1-(3-hexadecylsulfanylpropyl)-1-methylpyrrol-1-ium-3-ol bromide Traditional Name: 1-[3-(cetylthio)propyl]-1-methyl-pyrrol-1-ium-3-ol bromide Formula: C24H46BrNOS MolecularWeight: 476.59714

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCSCCC[N+]1(C=CC(=C1)O)C.[Br-]

Isomeric SMILES

CCCCCCCCCCCCCCCCSCCC[N+]1(C=CC(=C1)O)C.[Br-]

InChI

InChI=1S/C24H45NOS.BrH/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21-27-22-17-19-25(2)20-18-24(26)23-25;/h18,20,23H,3-17,19,21-22H2,1-2H3;1H