2-(3-hexadecoxy-2-methoxy-propyl)sulfanylethyl-trimethyl-azanium bromide

Systemtic Name: 2-(3-hexadecoxy-2-methoxy-propyl)sulfanylethyl-trimethyl-azanium bromide Openeye Name: 2-(3-hexadecoxy-2-methoxy-propyl)sulfanylethyl-trimethyl-ammonium bromide CAS Name: 2-[(3-hexadecoxy-2-methoxypropyl)thio]ethyl-trimethylammonium bromide IUPAC Name: 2-(3-hexadecoxy-2-methoxypropyl)sulfanylethyl-trimethylazanium bromide Traditional Name: 2-[(3-cetyloxy-2-methoxy-propyl)thio]ethyl-trimethyl-ammonium bromide Formula: C25H54BrNO2S MolecularWeight: 512.67076

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOCC(CSCC[N+](C)(C)C)OC.[Br-]

Isomeric SMILES

CCCCCCCCCCCCCCCCOCC(CSCC[N+](C)(C)C)OC.[Br-]

InChI

InChI=1S/C25H54NO2S.BrH/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21-28-23-25(27-5)24-29-22-20-26(2,3)4;/h25H,6-24H2,1-5H3;1H/q+1;/p-1