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

Systemtic Name: [(1R,9aR)-5-methyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-5-ium-1-yl]methyl pentanoate iodide Openeye Name: [(1R,9aR)-5-methyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-5-ium-1-yl]methyl pentanoate iodide CAS Name: pentanoic 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 pentanoate iodide Traditional Name: valeric acid [(1R,9aR)-5-methylquinolizidin-5-ium-1-yl]methyl ester iodide Formula: C16H30INO2 MolecularWeight: 395.31937

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H30NO2.HI/c1-3-4-10-16(18)19-13-14-8-7-12-17(2)11-6-5-9-15(14)17;/h14-15H,3-13H2,1-2H3;1H/q+1;/p-1/t14-,15+,17?;/m0./s1