(1-methylpiperidin-1-ium-4-yl) 3,4,5-trimethoxybenzoate chloride

Systemtic Name: (1-methylpiperidin-1-ium-4-yl) 3,4,5-trimethoxybenzoate chloride Openeye Name: (1-methylpiperidin-1-ium-4-yl) 3,4,5-trimethoxybenzoate chloride CAS Name: 3,4,5-trimethoxybenzoic acid (1-methyl-4-piperidin-1-iumyl) ester chloride IUPAC Name: (1-methylpiperidin-1-ium-4-yl) 3,4,5-trimethoxybenzoate chloride Traditional Name: 3,4,5-trimethoxybenzoic acid (1-methylpiperidin-1-ium-4-yl) ester chloride Formula: C16H24ClNO5 MolecularWeight: 345.81846

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC(CC1)OC(=O)C2=CC(=C(C(=C2)OC)OC)OC.[Cl-]

Isomeric SMILES

C[NH+]1CCC(CC1)OC(=O)C2=CC(=C(C(=C2)OC)OC)OC.[Cl-]

InChI

InChI=1S/C16H23NO5.ClH/c1-17-7-5-12(6-8-17)22-16(18)11-9-13(19-2)15(21-4)14(10-11)20-3;/h9-10,12H,5-8H2,1-4H3;1H