4-[1-[1-(2-ethoxyethyl)pyridin-1-ium-2-yl]sulfanyl-3-octadecoxy-propan-2-yl]oxypyrimidine

Systemtic Name: 4-[1-[1-(2-ethoxyethyl)pyridin-1-ium-2-yl]sulfanyl-3-octadecoxy-propan-2-yl]oxypyrimidine Openeye Name: 4-[1-[[1-(2-ethoxyethyl)pyridin-1-ium-2-yl]sulfanylmethyl]-2-octadecoxy-ethoxy]pyrimidine CAS Name: 4-[1-[[1-(2-ethoxyethyl)-2-pyridin-1-iumyl]thio]-3-octadecoxypropan-2-yl]oxypyrimidine IUPAC Name: 4-[1-[1-(2-ethoxyethyl)pyridin-1-ium-2-yl]sulfanyl-3-octadecoxypropan-2-yl]oxypyrimidine Traditional Name: 4-[1-[[[1-(2-ethoxyethyl)pyridin-1-ium-2-yl]thio]methyl]-2-stearyloxy-ethoxy]pyrimidine Formula: C34H58N3O3S+ MolecularWeight: 588.90762

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOCC(CSC1=CC=CC=[N+]1CCOCC)OC2=NC=NC=C2

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOCC(CSC1=CC=CC=[N+]1CCOCC)OC2=NC=NC=C2

InChI

InChI=1S/C34H58N3O3S/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-27-39-29-32(40-33-23-24-35-31-36-33)30-41-34-22-19-20-25-37(34)26-28-38-4-2/h19-20,22-25,31-32H,3-18,21,26-30H2,1-2H3/q+1