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

Systemtic Name: (1,1-dimethylpiperidin-1-ium-2-yl)methanol; methyl sulfate; 2-oxidanyl-2,2-diphenyl-ethanoate Openeye Name: (1,1-dimethylpiperidin-1-ium-2-yl)methanol; 2-hydroxy-2,2-diphenyl-acetate; methyl sulfate CAS Name: (1,1-dimethyl-2-piperidin-1-iumyl)methanol; 2-hydroxy-2,2-diphenylacetate; methyl sulfate IUPAC Name: (1,1-dimethylpiperidin-1-ium-2-yl)methanol; 2-hydroxy-2,2-diphenylacetate; methyl sulfate Traditional Name: benzilate; (1,1-dimethylpiperidin-1-ium-2-yl)methanol; methyl sulfate Formula: C23H32NO8S- MolecularWeight: 482.56708

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCCCC1CO)C.COS(=O)(=O)[O-].C1=CC=C(C=C1)C(C2=CC=CC=C2)(C(=O)[O-])O

Isomeric SMILES

C[N+]1(CCCCC1CO)C.COS(=O)(=O)[O-].C1=CC=C(C=C1)C(C2=CC=CC=C2)(C(=O)[O-])O

InChI

InChI=1S/C14H12O3.C8H18NO.CH4O4S/c15-13(16)14(17,11-7-3-1-4-8-11)12-9-5-2-6-10-12;1-9(2)6-4-3-5-8(9)7-10;1-5-6(2,3)4/h1-10,17H,(H,15,16);8,10H,3-7H2,1-2H3;1H3,(H,2,3,4)/q;+1;/p-2