(8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl) 2-oxidanyl-2-phenyl-ethanoate nitrate

Systemtic Name: (8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl) 2-oxidanyl-2-phenyl-ethanoate nitrate Openeye Name: (8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl) 2-hydroxy-2-phenyl-acetate nitrate CAS Name: 2-hydroxy-2-phenylacetic acid (8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl) ester nitrate IUPAC Name: (8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl) 2-hydroxy-2-phenylacetate nitrate Traditional Name: 2-hydroxy-2-phenyl-acetic acid (8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl) ester nitrate Formula: C17H24N2O6 MolecularWeight: 352.38226

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(C2CCC1CC(C2)OC(=O)C(C3=CC=CC=C3)O)C.[N+](=O)([O-])[O-]

Isomeric SMILES

C[N+]1(C2CCC1CC(C2)OC(=O)C(C3=CC=CC=C3)O)C.[N+](=O)([O-])[O-]

InChI

InChI=1S/C17H24NO3.NO3/c1-18(2)13-8-9-14(18)11-15(10-13)21-17(20)16(19)12-6-4-3-5-7-12;2-1(3)4/h3-7,13-16,19H,8-11H2,1-2H3;/q+1;-1