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

Systemtic Name: (8-ethyl-8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl) 3-oxidanyl-2-phenyl-propanoate iodide Openeye Name: (8-ethyl-8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl) 3-hydroxy-2-phenyl-propanoate iodide CAS Name: 3-hydroxy-2-phenylpropanoic acid (8-ethyl-8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl) ester iodide IUPAC Name: (8-ethyl-8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl) 3-hydroxy-2-phenylpropanoate iodide Traditional Name: 3-hydroxy-2-phenyl-propionic acid (8-ethyl-8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl) ester iodide Formula: C19H28INO3 MolecularWeight: 445.33499

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H28NO3.HI/c1-3-20(2)15-9-10-16(20)12-17(11-15)23-19(22)18(13-21)14-7-5-4-6-8-14;/h4-8,15-18,21H,3,9-13H2,1-2H3;1H/q+1;/p-1