1-chloranylhenicosan-4-yl(dimethyl)azanium bromide

Systemtic Name: 1-chloranylhenicosan-4-yl(dimethyl)azanium bromide Openeye Name: 1-(3-chloropropyl)octadecyl-dimethyl-ammonium bromide CAS Name: 1-chloroheneicosan-4-yl(dimethyl)ammonium bromide IUPAC Name: 1-chlorohenicosan-4-yl(dimethyl)azanium bromide Traditional Name: 1-(3-chloropropyl)octadecyl-dimethyl-ammonium bromide Formula: C23H49BrClN MolecularWeight: 454.99886

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(CCCCl)[NH+](C)C.[Br-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(CCCCl)[NH+](C)C.[Br-]

InChI

InChI=1S/C23H48ClN.BrH/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-23(25(2)3)21-19-22-24;/h23H,4-22H2,1-3H3;1H