dimethyl-[1-(4-methylphenyl)sulfonylheptadecan-6-yl]azanium bromide

Systemtic Name: dimethyl-[1-(4-methylphenyl)sulfonylheptadecan-6-yl]azanium bromide Openeye Name: dimethyl-[1-[5-(p-tolylsulfonyl)pentyl]dodecyl]ammonium bromide CAS Name: dimethyl-[1-(4-methylphenyl)sulfonylheptadecan-6-yl]ammonium bromide IUPAC Name: dimethyl-[1-(4-methylphenyl)sulfonylheptadecan-6-yl]azanium bromide Traditional Name: dimethyl-[1-(5-tosylpentyl)dodecyl]ammonium bromide Formula: C26H48BrNO2S MolecularWeight: 518.63382

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(CCCCCS(=O)(=O)C1=CC=C(C=C1)C)[NH+](C)C.[Br-]

Isomeric SMILES

CCCCCCCCCCCC(CCCCCS(=O)(=O)C1=CC=C(C=C1)C)[NH+](C)C.[Br-]

InChI

InChI=1S/C26H47NO2S.BrH/c1-5-6-7-8-9-10-11-12-14-17-25(27(3)4)18-15-13-16-23-30(28,29)26-21-19-24(2)20-22-26;/h19-22,25H,5-18,23H2,1-4H3;1H