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

Systemtic Name: [(1R,9aR)-5-methyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-5-ium-1-yl]methyl 2,4-dimethoxybenzoate iodide Openeye Name: [(1R,9aR)-5-methyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-5-ium-1-yl]methyl 2,4-dimethoxybenzoate iodide CAS Name: 2,4-dimethoxybenzoic 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 2,4-dimethoxybenzoate iodide Traditional Name: 2,4-dimethoxybenzoic acid [(1R,9aR)-5-methylquinolizidin-5-ium-1-yl]methyl ester iodide Formula: C20H30INO4 MolecularWeight: 475.36097

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]12CCCCC1C(CCC2)COC(=O)C3=C(C=C(C=C3)OC)OC.[I-]

Isomeric SMILES

C[N+]12CCCC[C@@H]1[C@@H](CCC2)COC(=O)C3=C(C=C(C=C3)OC)OC.[I-]

InChI

InChI=1S/C20H30NO4.HI/c1-21-11-5-4-8-18(21)15(7-6-12-21)14-25-20(22)17-10-9-16(23-2)13-19(17)24-3;/h9-10,13,15,18H,4-8,11-12,14H2,1-3H3;1H/q+1;/p-1/t15-,18+,21?;/m0./s1