[8-propan-2-yl-8-(trideuteriomethyl)-8-azoniabicyclo[3.2.1]octan-3-yl] 3-oxidanyl-2-phenyl-propanoate iodide

Systemtic Name: [8-propan-2-yl-8-(trideuteriomethyl)-8-azoniabicyclo[3.2.1]octan-3-yl] 3-oxidanyl-2-phenyl-propanoate iodide Openeye Name: [8-isopropyl-8-(trideuteriomethyl)-8-azoniabicyclo[3.2.1]octan-3-yl] 3-hydroxy-2-phenyl-propanoate iodide CAS Name: 3-hydroxy-2-phenylpropanoic acid [8-propan-2-yl-8-(trideuteriomethyl)-8-azoniabicyclo[3.2.1]octan-3-yl] ester iodide IUPAC Name: [8-propan-2-yl-8-(trideuteriomethyl)-8-azoniabicyclo[3.2.1]octan-3-yl] 3-hydroxy-2-phenylpropanoate iodide Traditional Name: 3-hydroxy-2-phenyl-propionic acid [8-isopropyl-8-(trideuteriomethyl)-8-azoniabicyclo[3.2.1]octan-3-yl] ester iodide Formula: C20H30INO3 MolecularWeight: 462.380055

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

[2H]C([2H])([2H])[N+]1(C2CCC1CC(C2)OC(=O)C(CO)C3=CC=CC=C3)C(C)C.[I-]

InChI

InChI=1S/C20H30NO3.HI/c1-14(2)21(3)16-9-10-17(21)12-18(11-16)24-20(23)19(13-22)15-7-5-4-6-8-15;/h4-8,14,16-19,22H,9-13H2,1-3H3;1H/q+1;/p-1/i3D3;