(1-methyl-3-oxidanyl-pyridin-1-ium-2-yl)methyl 2,2-diphenylpropanoate; methyl sulfate

Systemtic Name: (1-methyl-3-oxidanyl-pyridin-1-ium-2-yl)methyl 2,2-diphenylpropanoate; methyl sulfate Openeye Name: (3-hydroxy-1-methyl-pyridin-1-ium-2-yl)methyl 2,2-diphenylpropanoate; methyl sulfate CAS Name: 2,2-diphenylpropanoic acid (3-hydroxy-1-methyl-2-pyridin-1-iumyl)methyl ester; methyl sulfate IUPAC Name: (3-hydroxy-1-methylpyridin-1-ium-2-yl)methyl 2,2-diphenylpropanoate; methyl sulfate Traditional Name: 2,2-diphenylpropionic acid (3-hydroxy-1-methyl-pyridin-1-ium-2-yl)methyl ester; methyl sulfate Formula: C23H25NO7S MolecularWeight: 459.5121

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)(C2=CC=CC=C2)C(=O)OCC3=C(C=CC=[N+]3C)O.COS(=O)(=O)[O-]

Isomeric SMILES

CC(C1=CC=CC=C1)(C2=CC=CC=C2)C(=O)OCC3=C(C=CC=[N+]3C)O.COS(=O)(=O)[O-]

InChI

InChI=1S/C22H21NO3.CH4O4S/c1-22(17-10-5-3-6-11-17,18-12-7-4-8-13-18)21(25)26-16-19-20(24)14-9-15-23(19)2;1-5-6(2,3)4/h3-15H,16H2,1-2H3;1H3,(H,2,3,4)