1-(2,6-dimethylpiperidin-1-ium-1-yl)propan-2-yl 3,4,5-trimethoxybenzoate chloride

Systemtic Name: 1-(2,6-dimethylpiperidin-1-ium-1-yl)propan-2-yl 3,4,5-trimethoxybenzoate chloride Openeye Name: [2-(2,6-dimethylpiperidin-1-ium-1-yl)-1-methyl-ethyl] 3,4,5-trimethoxybenzoate chloride CAS Name: 3,4,5-trimethoxybenzoic acid 1-(2,6-dimethyl-1-piperidin-1-iumyl)propan-2-yl ester chloride IUPAC Name: 1-(2,6-dimethylpiperidin-1-ium-1-yl)propan-2-yl 3,4,5-trimethoxybenzoate chloride Traditional Name: 3,4,5-trimethoxybenzoic acid [2-(2,6-dimethylpiperidin-1-ium-1-yl)-1-methyl-ethyl] ester chloride Formula: C20H32ClNO5 MolecularWeight: 401.92478

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC([NH+]1CC(C)OC(=O)C2=CC(=C(C(=C2)OC)OC)OC)C.[Cl-]

Isomeric SMILES

CC1CCCC([NH+]1CC(C)OC(=O)C2=CC(=C(C(=C2)OC)OC)OC)C.[Cl-]

InChI

InChI=1S/C20H31NO5.ClH/c1-13-8-7-9-14(2)21(13)12-15(3)26-20(22)16-10-17(23-4)19(25-6)18(11-16)24-5;/h10-11,13-15H,7-9,12H2,1-6H3;1H