2-[1-(2-ethoxy-1-ethyl-4-octadecoxy-pyridin-1-ium-3-yl)sulfinylpropan-2-yloxy]pyrimidine

Systemtic Name: 2-[1-(2-ethoxy-1-ethyl-4-octadecoxy-pyridin-1-ium-3-yl)sulfinylpropan-2-yloxy]pyrimidine Openeye Name: 2-[2-(2-ethoxy-1-ethyl-4-octadecoxy-pyridin-1-ium-3-yl)sulfinyl-1-methyl-ethoxy]pyrimidine CAS Name: 2-[1-[(2-ethoxy-1-ethyl-4-octadecoxy-3-pyridin-1-iumyl)sulfinyl]propan-2-yloxy]pyrimidine IUPAC Name: 2-[1-(2-ethoxy-1-ethyl-4-octadecoxypyridin-1-ium-3-yl)sulfinylpropan-2-yloxy]pyrimidine Traditional Name: 2-[2-(2-ethoxy-1-ethyl-4-stearyloxy-pyridin-1-ium-3-yl)sulfinyl-1-methyl-ethoxy]pyrimidine Formula: C34H58N3O4S+ MolecularWeight: 604.90702

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOC1=C(C(=[N+](C=C1)CC)OCC)S(=O)CC(C)OC2=NC=CC=N2

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOC1=C(C(=[N+](C=C1)CC)OCC)S(=O)CC(C)OC2=NC=CC=N2

InChI

InChI=1S/C34H58N3O4S/c1-5-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-28-40-31-24-27-37(6-2)33(39-7-3)32(31)42(38)29-30(4)41-34-35-25-23-26-36-34/h23-27,30H,5-22,28-29H2,1-4H3/q+1