(1-methyl-1-azoniabicyclo[2.2.2]octan-3-yl) 2-phenylbutanoate iodide

Systemtic Name: (1-methyl-1-azoniabicyclo[2.2.2]octan-3-yl) 2-phenylbutanoate iodide Openeye Name: (1-methylquinuclidin-1-ium-3-yl) 2-phenylbutanoate iodide CAS Name: 2-phenylbutanoic acid (1-methyl-1-azoniabicyclo[2.2.2]octan-3-yl) ester iodide IUPAC Name: (1-methyl-1-azoniabicyclo[2.2.2]octan-3-yl) 2-phenylbutanoate iodide Traditional Name: 2-phenylbutyric acid (1-methylquinuclidin-1-ium-3-yl) ester iodide Formula: C18H26INO2 MolecularWeight: 415.30901

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=CC=C1)C(=O)OC2C[N+]3(CCC2CC3)C.[I-]

Isomeric SMILES

CCC(C1=CC=CC=C1)C(=O)OC2C[N+]3(CCC2CC3)C.[I-]

InChI

InChI=1S/C18H26NO2.HI/c1-3-16(14-7-5-4-6-8-14)18(20)21-17-13-19(2)11-9-15(17)10-12-19;/h4-8,15-17H,3,9-13H2,1-2H3;1H/q+1;/p-1