2-[1-octadecoxy-4-[2-(2-pyridin-1-ium-1-ylethoxy)ethylsulfinyl]butan-2-yl]oxypyrimidine

Systemtic Name: 2-[1-octadecoxy-4-[2-(2-pyridin-1-ium-1-ylethoxy)ethylsulfinyl]butan-2-yl]oxypyrimidine Openeye Name: 2-[1-(octadecoxymethyl)-3-[2-(2-pyridin-1-ium-1-ylethoxy)ethylsulfinyl]propoxy]pyrimidine CAS Name: 2-[1-octadecoxy-4-[2-[2-(1-pyridin-1-iumyl)ethoxy]ethylsulfinyl]butan-2-yl]oxypyrimidine IUPAC Name: 2-[1-octadecoxy-4-[2-(2-pyridin-1-ium-1-ylethoxy)ethylsulfinyl]butan-2-yl]oxypyrimidine Traditional Name: 2-[3-[2-(2-pyridin-1-ium-1-ylethoxy)ethylsulfinyl]-1-(stearyloxymethyl)propoxy]pyrimidine Formula: C35H60N3O4S+ MolecularWeight: 618.9336

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOCC(CCS(=O)CCOCC[N+]1=CC=CC=C1)OC2=NC=CC=N2

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOCC(CCS(=O)CCOCC[N+]1=CC=CC=C1)OC2=NC=CC=N2

InChI

InChI=1S/C35H60N3O4S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-28-41-33-34(42-35-36-23-21-24-37-35)22-31-43(39)32-30-40-29-27-38-25-18-17-19-26-38/h17-19,21,23-26,34H,2-16,20,22,27-33H2,1H3/q+1