3-(2-chloranylphenoxy)-1-methoxy-pyridin-1-ium; methyl sulfate

Systemtic Name: 3-(2-chloranylphenoxy)-1-methoxy-pyridin-1-ium; methyl sulfate Openeye Name: 3-(2-chlorophenoxy)-1-methoxy-pyridin-1-ium; methyl sulfate CAS Name: 3-(2-chlorophenoxy)-1-methoxypyridin-1-ium; methyl sulfate IUPAC Name: 3-(2-chlorophenoxy)-1-methoxypyridin-1-ium; methyl sulfate Traditional Name: 3-(2-chlorophenoxy)-1-methoxy-pyridin-1-ium; methyl sulfate Formula: C13H14ClNO6S MolecularWeight: 347.77136

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Descriptors Computed from Structure

Canonical SMILES:

CO[N+]1=CC=CC(=C1)OC2=CC=CC=C2Cl.COS(=O)(=O)[O-]

Isomeric SMILES

CO[N+]1=CC=CC(=C1)OC2=CC=CC=C2Cl.COS(=O)(=O)[O-]

InChI

InChI=1S/C12H11ClNO2.CH4O4S/c1-15-14-8-4-5-10(9-14)16-12-7-3-2-6-11(12)13;1-5-6(2,3)4/h2-9H,1H3;1H3,(H,2,3,4)/q+1;/p-1