(1,1-dimethylpyrrolidin-1-ium-2-yl)methyl 2-oxidanyl-2,2-diphenyl-ethanoate; methyl sulfate

Systemtic Name: (1,1-dimethylpyrrolidin-1-ium-2-yl)methyl 2-oxidanyl-2,2-diphenyl-ethanoate; methyl sulfate Openeye Name: (1,1-dimethylpyrrolidin-1-ium-2-yl)methyl 2-hydroxy-2,2-diphenyl-acetate; methyl sulfate CAS Name: 2-hydroxy-2,2-diphenylacetic acid (1,1-dimethyl-2-pyrrolidin-1-iumyl)methyl ester; methyl sulfate IUPAC Name: (1,1-dimethylpyrrolidin-1-ium-2-yl)methyl 2-hydroxy-2,2-diphenylacetate; methyl sulfate Traditional Name: 2-hydroxy-2,2-diphenyl-acetic acid (1,1-dimethylpyrrolidin-1-ium-2-yl)methyl ester; methyl sulfate Formula: C22H29NO7S MolecularWeight: 451.53316

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCCC1COC(=O)C(C2=CC=CC=C2)(C3=CC=CC=C3)O)C.COS(=O)(=O)[O-]

Isomeric SMILES

C[N+]1(CCCC1COC(=O)C(C2=CC=CC=C2)(C3=CC=CC=C3)O)C.COS(=O)(=O)[O-]

InChI

InChI=1S/C21H26NO3.CH4O4S/c1-22(2)15-9-14-19(22)16-25-20(23)21(24,17-10-5-3-6-11-17)18-12-7-4-8-13-18;1-5-6(2,3)4/h3-8,10-13,19,24H,9,14-16H2,1-2H3;1H3,(H,2,3,4)/q+1;/p-1