2-[1-(2-ethoxy-1-ethyl-pyridin-1-ium-3-yl)sulfinylpropoxy]pyrimidine

Systemtic Name: 2-[1-(2-ethoxy-1-ethyl-pyridin-1-ium-3-yl)sulfinylpropoxy]pyrimidine Openeye Name: 2-[1-(2-ethoxy-1-ethyl-pyridin-1-ium-3-yl)sulfinylpropoxy]pyrimidine CAS Name: 2-[1-[(2-ethoxy-1-ethyl-3-pyridin-1-iumyl)sulfinyl]propoxy]pyrimidine IUPAC Name: 2-[1-(2-ethoxy-1-ethylpyridin-1-ium-3-yl)sulfinylpropoxy]pyrimidine Traditional Name: 2-[1-(2-ethoxy-1-ethyl-pyridin-1-ium-3-yl)sulfinylpropoxy]pyrimidine Formula: C16H22N3O3S+ MolecularWeight: 336.42918

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Descriptors Computed from Structure

Canonical SMILES:

CCC(OC1=NC=CC=N1)S(=O)C2=C([N+](=CC=C2)CC)OCC

Isomeric SMILES

CCC(OC1=NC=CC=N1)S(=O)C2=C([N+](=CC=C2)CC)OCC

InChI

InChI=1S/C16H22N3O3S/c1-4-14(22-16-17-10-8-11-18-16)23(20)13-9-7-12-19(5-2)15(13)21-6-3/h7-12,14H,4-6H2,1-3H3/q+1