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5-chloranyloctadecan-7-yl(dimethyl)azanium bromide

5-chloranyloctadecan-7-yl(dimethyl)azanium bromide

Systemtic Name:5-chloranyloctadecan-7-yl(dimethyl)azanium bromide
Openeye Name:1-(2-chlorohexyl)dodecyl-dimethyl-ammonium bromide
CAS Name:5-chlorooctadecan-7-yl(dimethyl)ammonium bromide
IUPAC Name:5-chlorooctadecan-7-yl(dimethyl)azanium bromide
Traditional Name:1-(2-chlorohexyl)dodecyl-dimethyl-ammonium bromide
Formula: C20H43BrClN
MolecularWeight: 412.91912
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(CC(CCCC)Cl)[NH+](C)C.[Br-]


Isomeric SMILES

CCCCCCCCCCCC(CC(CCCC)Cl)[NH+](C)C.[Br-]


InChI

InChI=1S/C20H42ClN.BrH/c1-5-7-9-10-11-12-13-14-15-17-20(22(3)4)18-19(21)16-8-6-2;/h19-20H,5-18H2,1-4H3;1H


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