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

Systemtic Name: [(1R,9aR)-5-methyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-5-ium-1-yl]methyl 3-chloranyladamantane-1-carboxylate iodide Openeye Name: [(1R,9aR)-5-methyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-5-ium-1-yl]methyl 3-chloroadamantane-1-carboxylate iodide CAS Name: 3-chloro-1-adamantanecarboxylic 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 3-chloroadamantane-1-carboxylate iodide Traditional Name: 3-chloroadamantane-1-carboxylic acid [(1R,9aR)-5-methylquinolizidin-5-ium-1-yl]methyl ester iodide Formula: C22H35ClINO2 MolecularWeight: 507.87627

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]12CCCCC1C(CCC2)COC(=O)C34CC5CC(C3)CC(C5)(C4)Cl.[I-]

Isomeric SMILES

C[N+]12CCCC[C@@H]1[C@@H](CCC2)COC(=O)C34CC5CC(C3)CC(C5)(C4)Cl.[I-]

InChI

InChI=1S/C22H35ClNO2.HI/c1-24-7-3-2-6-19(24)18(5-4-8-24)14-26-20(25)21-10-16-9-17(11-21)13-22(23,12-16)15-21;/h16-19H,2-15H2,1H3;1H/q+1;/p-1/t16?,17?,18-,19+,21?,22?,24?;/m0./s1