2-[1-[[3-(2-ethoxyethyl)-1H-imidazol-3-ium-2-yl]sulfanyl]-3-octadecoxy-propan-2-yl]oxypyrimidine chloride

Systemtic Name: 2-[1-[[3-(2-ethoxyethyl)-1H-imidazol-3-ium-2-yl]sulfanyl]-3-octadecoxy-propan-2-yl]oxypyrimidine chloride Openeye Name: 2-[1-[[3-(2-ethoxyethyl)-1H-imidazol-3-ium-2-yl]sulfanylmethyl]-2-octadecoxy-ethoxy]pyrimidine chloride CAS Name: 2-[1-[[3-(2-ethoxyethyl)-1H-imidazol-3-ium-2-yl]thio]-3-octadecoxypropan-2-yl]oxypyrimidine chloride IUPAC Name: 2-[1-[[3-(2-ethoxyethyl)-1H-imidazol-3-ium-2-yl]sulfanyl]-3-octadecoxypropan-2-yl]oxypyrimidine chloride Traditional Name: 2-[1-[[[3-(2-ethoxyethyl)-1H-imidazol-3-ium-2-yl]thio]methyl]-2-stearyloxy-ethoxy]pyrimidine chloride Formula: C32H57ClN4O3S MolecularWeight: 613.33798

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOCC(CSC1=[N+](C=CN1)CCOCC)OC2=NC=CC=N2.[Cl-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOCC(CSC1=[N+](C=CN1)CCOCC)OC2=NC=CC=N2.[Cl-]

InChI

InChI=1S/C32H56N4O3S.ClH/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-26-38-28-30(39-31-33-21-20-22-34-31)29-40-32-35-23-24-36(32)25-27-37-4-2;/h20-24,30H,3-19,25-29H2,1-2H3;1H