2-[1-[2-[2-(1-methylpyrrolidin-1-ium-1-yl)ethoxy]ethylsulfinyl]-3-octadecoxy-propan-2-yl]oxypyrimidine

Systemtic Name: 2-[1-[2-[2-(1-methylpyrrolidin-1-ium-1-yl)ethoxy]ethylsulfinyl]-3-octadecoxy-propan-2-yl]oxypyrimidine Openeye Name: 2-[1-[2-[2-(1-methylpyrrolidin-1-ium-1-yl)ethoxy]ethylsulfinylmethyl]-2-octadecoxy-ethoxy]pyrimidine CAS Name: 2-[1-[2-[2-(1-methyl-1-pyrrolidin-1-iumyl)ethoxy]ethylsulfinyl]-3-octadecoxypropan-2-yl]oxypyrimidine IUPAC Name: 2-[1-[2-[2-(1-methylpyrrolidin-1-ium-1-yl)ethoxy]ethylsulfinyl]-3-octadecoxypropan-2-yl]oxypyrimidine Traditional Name: 2-[1-[2-[2-(1-methylpyrrolidin-1-ium-1-yl)ethoxy]ethylsulfinylmethyl]-2-stearyloxy-ethoxy]pyrimidine Formula: C34H64N3O4S+ MolecularWeight: 610.95466

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOCC(CS(=O)CCOCC[N+]1(CCCC1)C)OC2=NC=CC=N2

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOCC(CS(=O)CCOCC[N+]1(CCCC1)C)OC2=NC=CC=N2

InChI

InChI=1S/C34H64N3O4S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-27-40-31-33(41-34-35-22-21-23-36-34)32-42(38)30-29-39-28-26-37(2)24-18-19-25-37/h21-23,33H,3-20,24-32H2,1-2H3/q+1