[(1R,9aR)-5-methyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-5-ium-1-yl]methyl 2-methylpropanoate iodide

Systemtic Name: [(1R,9aR)-5-methyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-5-ium-1-yl]methyl 2-methylpropanoate iodide Openeye Name: [(1R,9aR)-5-methyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-5-ium-1-yl]methyl 2-methylpropanoate iodide CAS Name: 2-methylpropanoic acid [(1R,9aR)-5-methyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-5-ium-1-yl]methyl ester iodide IUPAC Name: [(1R,9aR)-5-methyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-5-ium-1-yl]methyl 2-methylpropanoate iodide Traditional Name: 2-methylpropionic acid [(1R,9aR)-5-methylquinolizidin-5-ium-1-yl]methyl ester iodide Formula: C15H28INO2 MolecularWeight: 381.29279

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)OCC1CCC[N+]2(C1CCCC2)C.[I-]

Isomeric SMILES

CC(C)C(=O)OC[C@@H]1CCC[N+]2([C@@H]1CCCC2)C.[I-]

InChI

InChI=1S/C15H28NO2.HI/c1-12(2)15(17)18-11-13-7-6-10-16(3)9-5-4-8-14(13)16;/h12-14H,4-11H2,1-3H3;1H/q+1;/p-1/t13-,14+,16?;/m0./s1