2-(1-methylpyridin-1-ium-2-yl)-1-(2-nitrophenyl)ethanol; methyl sulfate

Systemtic Name: 2-(1-methylpyridin-1-ium-2-yl)-1-(2-nitrophenyl)ethanol; methyl sulfate Openeye Name: 2-(1-methylpyridin-1-ium-2-yl)-1-(2-nitrophenyl)ethanol; methyl sulfate CAS Name: 2-(1-methyl-2-pyridin-1-iumyl)-1-(2-nitrophenyl)ethanol; methyl sulfate IUPAC Name: 2-(1-methylpyridin-1-ium-2-yl)-1-(2-nitrophenyl)ethanol; methyl sulfate Traditional Name: 2-(1-methylpyridin-1-ium-2-yl)-1-(2-nitrophenyl)ethanol; methyl sulfate Formula: C15H18N2O7S MolecularWeight: 370.37762

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=CC=C1CC(C2=CC=CC=C2[N+](=O)[O-])O.COS(=O)(=O)[O-]

Isomeric SMILES

C[N+]1=CC=CC=C1CC(C2=CC=CC=C2[N+](=O)[O-])O.COS(=O)(=O)[O-]

InChI

InChI=1S/C14H15N2O3.CH4O4S/c1-15-9-5-4-6-11(15)10-14(17)12-7-2-3-8-13(12)16(18)19;1-5-6(2,3)4/h2-9,14,17H,10H2,1H3;1H3,(H,2,3,4)/q+1;/p-1