2-[1-octadecoxy-3-[2-[2-(2-pyridin-1-ium-1-ylethoxy)ethylsulfinyl]ethylsulfinyl]propan-2-yl]oxypyrimidine

Systemtic Name: 2-[1-octadecoxy-3-[2-[2-(2-pyridin-1-ium-1-ylethoxy)ethylsulfinyl]ethylsulfinyl]propan-2-yl]oxypyrimidine Openeye Name: 2-[1-(octadecoxymethyl)-2-[2-[2-(2-pyridin-1-ium-1-ylethoxy)ethylsulfinyl]ethylsulfinyl]ethoxy]pyrimidine CAS Name: 2-[1-octadecoxy-3-[2-[2-[2-(1-pyridin-1-iumyl)ethoxy]ethylsulfinyl]ethylsulfinyl]propan-2-yl]oxypyrimidine IUPAC Name: 2-[1-octadecoxy-3-[2-[2-(2-pyridin-1-ium-1-ylethoxy)ethylsulfinyl]ethylsulfinyl]propan-2-yl]oxypyrimidine Traditional Name: 2-[1-[2-[2-(2-pyridin-1-ium-1-ylethoxy)ethylsulfinyl]ethylsulfinylmethyl]-2-stearyloxy-ethoxy]pyrimidine Formula: C36H62N3O5S2+ MolecularWeight: 681.02458

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C36H62N3O5S2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-27-43-33-35(44-36-37-22-21-23-38-36)34-46(41)32-31-45(40)30-29-42-28-26-39-24-18-17-19-25-39/h17-19,21-25,35H,2-16,20,26-34H2,1H3/q+1