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

Systemtic Name: 2-[1-(2-ethoxy-1-ethyl-4-propoxy-pyridin-1-ium-3-yl)sulfinylpropan-2-yloxy]pyrimidine chloride Openeye Name: 2-[2-(2-ethoxy-1-ethyl-4-propoxy-pyridin-1-ium-3-yl)sulfinyl-1-methyl-ethoxy]pyrimidine chloride CAS Name: 2-[1-[(2-ethoxy-1-ethyl-4-propoxy-3-pyridin-1-iumyl)sulfinyl]propan-2-yloxy]pyrimidine chloride IUPAC Name: 2-[1-(2-ethoxy-1-ethyl-4-propoxypyridin-1-ium-3-yl)sulfinylpropan-2-yloxy]pyrimidine chloride Traditional Name: 2-[2-(2-ethoxy-1-ethyl-4-propoxy-pyridin-1-ium-3-yl)sulfinyl-1-methyl-ethoxy]pyrimidine chloride Formula: C19H28ClN3O4S MolecularWeight: 429.96132

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C(=[N+](C=C1)CC)OCC)S(=O)CC(C)OC2=NC=CC=N2.[Cl-]

Isomeric SMILES

CCCOC1=C(C(=[N+](C=C1)CC)OCC)S(=O)CC(C)OC2=NC=CC=N2.[Cl-]

InChI

InChI=1S/C19H28N3O4S.ClH/c1-5-13-25-16-9-12-22(6-2)18(24-7-3)17(16)27(23)14-15(4)26-19-20-10-8-11-21-19;/h8-12,15H,5-7,13-14H2,1-4H3;1H/q+1;/p-1