3-[1-[2-[2-(3-octadecoxy-2-pyrimidin-2-yloxy-propyl)sulfinylethoxy]ethyl]pyridin-1-ium-3-yl]propan-1-ol

Systemtic Name: 3-[1-[2-[2-(3-octadecoxy-2-pyrimidin-2-yloxy-propyl)sulfinylethoxy]ethyl]pyridin-1-ium-3-yl]propan-1-ol Openeye Name: 3-[1-[2-[2-(3-octadecoxy-2-pyrimidin-2-yloxy-propyl)sulfinylethoxy]ethyl]pyridin-1-ium-3-yl]propan-1-ol CAS Name: 3-[1-[2-[2-[3-octadecoxy-2-(2-pyrimidinyloxy)propyl]sulfinylethoxy]ethyl]-3-pyridin-1-iumyl]-1-propanol IUPAC Name: 3-[1-[2-[2-(3-octadecoxy-2-pyrimidin-2-yloxypropyl)sulfinylethoxy]ethyl]pyridin-1-ium-3-yl]propan-1-ol Traditional Name: 3-[1-[2-[2-[2-(2-pyrimidyloxy)-3-stearyloxy-propyl]sulfinylethoxy]ethyl]pyridin-1-ium-3-yl]propan-1-ol Formula: C37H64N3O5S+ MolecularWeight: 662.98616

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C37H64N3O5S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-28-44-33-36(45-37-38-23-20-24-39-37)34-46(42)31-30-43-29-26-40-25-18-21-35(32-40)22-19-27-41/h18,20-21,23-25,32,36,41H,2-17,19,22,26-31,33-34H2,1H3/q+1