[(10S,11S)-11-butyl-5,5-dimethyl-5-azoniaspiro[5.5]undecan-10-yl] ethanoate iodide

Systemtic Name: [(10S,11S)-11-butyl-5,5-dimethyl-5-azoniaspiro[5.5]undecan-10-yl] ethanoate iodide Openeye Name: [(10S,11S)-11-butyl-5,5-dimethyl-5-azoniaspiro[5.5]undecan-10-yl] acetate iodide CAS Name: acetic acid [(10S,11S)-11-butyl-5,5-dimethyl-5-azoniaspiro[5.5]undecan-10-yl] ester iodide IUPAC Name: [(10S,11S)-11-butyl-5,5-dimethyl-5-azoniaspiro[5.5]undecan-10-yl] acetate iodide Traditional Name: acetic acid [(10S,11S)-11-butyl-5,5-dimethyl-5-azoniaspiro[5.5]undecan-10-yl] ester iodide Formula: C18H34INO2 MolecularWeight: 423.37253

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1C(CCCC12CCCC[N+]2(C)C)OC(=O)C.[I-]

Isomeric SMILES

CCCC[C@@H]1[C@H](CCCC12CCCC[N+]2(C)C)OC(=O)C.[I-]

InChI

InChI=1S/C18H34NO2.HI/c1-5-6-10-16-17(21-15(2)20)11-9-13-18(16)12-7-8-14-19(18,3)4;/h16-17H,5-14H2,1-4H3;1H/q+1;/p-1/t16-,17+,18?;/m1./s1