[2,2-diethoxy-2-(3-octadecoxy-2-pyrimidin-2-yloxy-propyl)sulfanyl-ethyl]-trimethyl-azanium chloride

Systemtic Name: [2,2-diethoxy-2-(3-octadecoxy-2-pyrimidin-2-yloxy-propyl)sulfanyl-ethyl]-trimethyl-azanium chloride Openeye Name: [2,2-diethoxy-2-(3-octadecoxy-2-pyrimidin-2-yloxy-propyl)sulfanyl-ethyl]-trimethyl-ammonium chloride CAS Name: [2,2-diethoxy-2-[[3-octadecoxy-2-(2-pyrimidinyloxy)propyl]thio]ethyl]-trimethylammonium chloride IUPAC Name: [2,2-diethoxy-2-(3-octadecoxy-2-pyrimidin-2-yloxypropyl)sulfanylethyl]-trimethylazanium chloride Traditional Name: [2,2-diethoxy-2-[[2-(2-pyrimidyloxy)-3-stearyloxy-propyl]thio]ethyl]-trimethyl-ammonium chloride Formula: C34H66ClN3O4S MolecularWeight: 648.42354

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOCC(CSC(C[N+](C)(C)C)(OCC)OCC)OC1=NC=CC=N1.[Cl-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOCC(CSC(C[N+](C)(C)C)(OCC)OCC)OC1=NC=CC=N1.[Cl-]

InChI

InChI=1S/C34H66N3O4S.ClH/c1-7-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-28-38-29-32(41-33-35-26-25-27-36-33)30-42-34(39-8-2,40-9-3)31-37(4,5)6;/h25-27,32H,7-24,28-31H2,1-6H3;1H/q+1;/p-1