5-(4-methoxyphenyl)-2-(1-methylpyridin-1-ium-4-yl)pyridine; methyl sulfate

Systemtic Name: 5-(4-methoxyphenyl)-2-(1-methylpyridin-1-ium-4-yl)pyridine; methyl sulfate Openeye Name: 5-(4-methoxyphenyl)-2-(1-methylpyridin-1-ium-4-yl)pyridine; methyl sulfate CAS Name: 5-(4-methoxyphenyl)-2-(1-methyl-4-pyridin-1-iumyl)pyridine; methyl sulfate IUPAC Name: 5-(4-methoxyphenyl)-2-(1-methylpyridin-1-ium-4-yl)pyridine; methyl sulfate Traditional Name: 5-(4-methoxyphenyl)-2-(1-methylpyridin-1-ium-4-yl)pyridine; methyl sulfate Formula: C19H20N2O5S MolecularWeight: 388.4375

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=C(C=C1)C2=NC=C(C=C2)C3=CC=C(C=C3)OC.COS(=O)(=O)[O-]

Isomeric SMILES

C[N+]1=CC=C(C=C1)C2=NC=C(C=C2)C3=CC=C(C=C3)OC.COS(=O)(=O)[O-]

InChI

InChI=1S/C18H17N2O.CH4O4S/c1-20-11-9-15(10-12-20)18-8-5-16(13-19-18)14-3-6-17(21-2)7-4-14;1-5-6(2,3)4/h3-13H,1-2H3;1H3,(H,2,3,4)/q+1;/p-1