[[hexadecyl(methyl)amino]-methylsulfanyl-methylidene]-dimethyl-azanium bromide

Systemtic Name: [[hexadecyl(methyl)amino]-methylsulfanyl-methylidene]-dimethyl-azanium bromide Openeye Name: [[hexadecyl(methyl)amino]-methylsulfanyl-methylene]-dimethyl-ammonium bromide CAS Name: [[hexadecyl(methyl)amino]-(methylthio)methylidene]-dimethylammonium bromide IUPAC Name: [[hexadecyl(methyl)amino]-methylsulfanylmethylidene]-dimethylazanium bromide Traditional Name: [[cetyl(methyl)amino]-(methylthio)methylene]-dimethyl-ammonium bromide Formula: C21H45BrN2S MolecularWeight: 437.5644

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCN(C)C(=[N+](C)C)SC.[Br-]

Isomeric SMILES

CCCCCCCCCCCCCCCCN(C)C(=[N+](C)C)SC.[Br-]

InChI

InChI=1S/C21H45N2S.BrH/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23(4)21(24-5)22(2)3;/h6-20H2,1-5H3;1H/q+1;/p-1