trimethyl-[2-[2-(4-octadecoxy-3-pyrimidin-2-yloxy-butyl)sulfinylethoxy]ethyl]azanium chloride

Systemtic Name: trimethyl-[2-[2-(4-octadecoxy-3-pyrimidin-2-yloxy-butyl)sulfinylethoxy]ethyl]azanium chloride Openeye Name: trimethyl-[2-[2-(4-octadecoxy-3-pyrimidin-2-yloxy-butyl)sulfinylethoxy]ethyl]ammonium chloride CAS Name: trimethyl-[2-[2-[4-octadecoxy-3-(2-pyrimidinyloxy)butyl]sulfinylethoxy]ethyl]ammonium chloride IUPAC Name: trimethyl-[2-[2-(4-octadecoxy-3-pyrimidin-2-yloxybutyl)sulfinylethoxy]ethyl]azanium chloride Traditional Name: trimethyl-[2-[2-[3-(2-pyrimidyloxy)-4-stearyloxy-butyl]sulfinylethoxy]ethyl]ammonium chloride Formula: C33H64ClN3O4S MolecularWeight: 634.39696

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOCC(CCS(=O)CCOCC[N+](C)(C)C)OC1=NC=CC=N1.[Cl-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOCC(CCS(=O)CCOCC[N+](C)(C)C)OC1=NC=CC=N1.[Cl-]

InChI

InChI=1S/C33H64N3O4S.ClH/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-26-39-31-32(40-33-34-23-21-24-35-33)22-29-41(37)30-28-38-27-25-36(2,3)4;/h21,23-24,32H,5-20,22,25-31H2,1-4H3;1H/q+1;/p-1