1-methyl-1-azoniabicyclo[2.2.2]octan-3-ol; 2-oxidanyl-2,2-diphenyl-ethanoate

Systemtic Name: 1-methyl-1-azoniabicyclo[2.2.2]octan-3-ol; 2-oxidanyl-2,2-diphenyl-ethanoate Openeye Name: 2-hydroxy-2,2-diphenyl-acetate; 1-methylquinuclidin-1-ium-3-ol CAS Name: 2-hydroxy-2,2-diphenylacetate; 1-methyl-1-azoniabicyclo[2.2.2]octan-3-ol IUPAC Name: 2-hydroxy-2,2-diphenylacetate; 1-methyl-1-azoniabicyclo[2.2.2]octan-3-ol Traditional Name: benzilate; 1-methylquinuclidin-1-ium-3-ol Formula: C22H27NO4 MolecularWeight: 369.45408

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]12CCC(CC1)C(C2)O.C1=CC=C(C=C1)C(C2=CC=CC=C2)(C(=O)[O-])O

Isomeric SMILES

C[N+]12CCC(CC1)C(C2)O.C1=CC=C(C=C1)C(C2=CC=CC=C2)(C(=O)[O-])O

InChI

InChI=1S/C14H12O3.C8H16NO/c15-13(16)14(17,11-7-3-1-4-8-11)12-9-5-2-6-10-12;1-9-4-2-7(3-5-9)8(10)6-9/h1-10,17H,(H,15,16);7-8,10H,2-6H2,1H3/q;+1/p-1