(1-diphenylphosphanyl-1-methyl-azetidin-1-ium-3-yl) methanesulfonate; methyl sulfate

Systemtic Name: (1-diphenylphosphanyl-1-methyl-azetidin-1-ium-3-yl) methanesulfonate; methyl sulfate Openeye Name: (1-diphenylphosphanyl-1-methyl-azetidin-1-ium-3-yl) methanesulfonate; methyl sulfate CAS Name: methanesulfonic acid (1-diphenylphosphino-1-methyl-3-azetidin-1-iumyl) ester; methyl sulfate IUPAC Name: (1-diphenylphosphanyl-1-methylazetidin-1-ium-3-yl) methanesulfonate; methyl sulfate Traditional Name: methanesulfonic acid (1-diphenylphosphino-1-methyl-azetidin-1-ium-3-yl) ester; methyl sulfate Formula: C18H24NO7PS2 MolecularWeight: 461.489421

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21NO3PS.CH4O4S/c1-18(13-15(14-18)21-23(2,19)20)22(16-9-5-3-6-10-16)17-11-7-4-8-12-17;1-5-6(2,3)4/h3-12,15H,13-14H2,1-2H3;1H3,(H,2,3,4)/q+1;/p-1