(1-methylpiperidin-1-ium-3-yl) 3,4-dimethoxybenzoate chloride

Systemtic Name: (1-methylpiperidin-1-ium-3-yl) 3,4-dimethoxybenzoate chloride Openeye Name: (1-methylpiperidin-1-ium-3-yl) 3,4-dimethoxybenzoate chloride CAS Name: 3,4-dimethoxybenzoic acid (1-methyl-3-piperidin-1-iumyl) ester chloride IUPAC Name: (1-methylpiperidin-1-ium-3-yl) 3,4-dimethoxybenzoate chloride Traditional Name: 3,4-dimethoxybenzoic acid (1-methylpiperidin-1-ium-3-yl) ester chloride Formula: C15H22ClNO4 MolecularWeight: 315.79248

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCCC(C1)OC(=O)C2=CC(=C(C=C2)OC)OC.[Cl-]

Isomeric SMILES

C[NH+]1CCCC(C1)OC(=O)C2=CC(=C(C=C2)OC)OC.[Cl-]

InChI

InChI=1S/C15H21NO4.ClH/c1-16-8-4-5-12(10-16)20-15(17)11-6-7-13(18-2)14(9-11)19-3;/h6-7,9,12H,4-5,8,10H2,1-3H3;1H