dodecyl-(1-ethylsulfanylpentyl)-dimethyl-azanium bromide

Systemtic Name: dodecyl-(1-ethylsulfanylpentyl)-dimethyl-azanium bromide Openeye Name: dodecyl-(1-ethylsulfanylpentyl)-dimethyl-ammonium bromide CAS Name: dodecyl-[1-(ethylthio)pentyl]-dimethylammonium bromide IUPAC Name: dodecyl-(1-ethylsulfanylpentyl)-dimethylazanium bromide Traditional Name: 1-(ethylthio)pentyl-lauryl-dimethyl-ammonium bromide Formula: C21H46BrNS MolecularWeight: 424.56564

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC[N+](C)(C)C(CCCC)SCC.[Br-]

Isomeric SMILES

CCCCCCCCCCCC[N+](C)(C)C(CCCC)SCC.[Br-]

InChI

InChI=1S/C21H46NS.BrH/c1-6-9-11-12-13-14-15-16-17-18-20-22(4,5)21(23-8-3)19-10-7-2;/h21H,6-20H2,1-5H3;1H/q+1;/p-1