2-[2-(2-methoxy-3-octadecoxy-propyl)sulfanylethoxy]ethyl-trimethyl-azanium chloride

Systemtic Name: 2-[2-(2-methoxy-3-octadecoxy-propyl)sulfanylethoxy]ethyl-trimethyl-azanium chloride Openeye Name: 2-[2-(2-methoxy-3-octadecoxy-propyl)sulfanylethoxy]ethyl-trimethyl-ammonium chloride CAS Name: 2-[2-[(2-methoxy-3-octadecoxypropyl)thio]ethoxy]ethyl-trimethylammonium chloride IUPAC Name: 2-[2-(2-methoxy-3-octadecoxypropyl)sulfanylethoxy]ethyl-trimethylazanium chloride Traditional Name: 2-[2-[(2-methoxy-3-stearyloxy-propyl)thio]ethoxy]ethyl-trimethyl-ammonium chloride Formula: C29H62ClNO3S MolecularWeight: 540.32548

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOCC(CSCCOCC[N+](C)(C)C)OC.[Cl-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOCC(CSCCOCC[N+](C)(C)C)OC.[Cl-]

InChI

InChI=1S/C29H62NO3S.ClH/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-23-33-27-29(31-5)28-34-26-25-32-24-22-30(2,3)4;/h29H,6-28H2,1-5H3;1H/q+1;/p-1