1-methoxy-3-phenoxy-pyridin-1-ium; methyl sulfate

Systemtic Name: 1-methoxy-3-phenoxy-pyridin-1-ium; methyl sulfate Openeye Name: 1-methoxy-3-phenoxy-pyridin-1-ium; methyl sulfate CAS Name: 1-methoxy-3-phenoxypyridin-1-ium; methyl sulfate IUPAC Name: 1-methoxy-3-phenoxypyridin-1-ium; methyl sulfate Traditional Name: 1-methoxy-3-phenoxy-pyridin-1-ium; methyl sulfate Formula: C13H15NO6S MolecularWeight: 313.3263

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Descriptors Computed from Structure

Canonical SMILES:

CO[N+]1=CC=CC(=C1)OC2=CC=CC=C2.COS(=O)(=O)[O-]

Isomeric SMILES

CO[N+]1=CC=CC(=C1)OC2=CC=CC=C2.COS(=O)(=O)[O-]

InChI

InChI=1S/C12H12NO2.CH4O4S/c1-14-13-9-5-8-12(10-13)15-11-6-3-2-4-7-11;1-5-6(2,3)4/h2-10H,1H3;1H3,(H,2,3,4)/q+1;/p-1