(1-methylpiperidin-1-ium-3-yl) 2,3-dihydro-1,4-benzodioxine-6-carboxylate chloride

Systemtic Name: (1-methylpiperidin-1-ium-3-yl) 2,3-dihydro-1,4-benzodioxine-6-carboxylate chloride Openeye Name: (1-methylpiperidin-1-ium-3-yl) 2,3-dihydro-1,4-benzodioxine-6-carboxylate chloride CAS Name: 2,3-dihydro-1,4-benzodioxin-6-carboxylic acid (1-methyl-3-piperidin-1-iumyl) ester chloride IUPAC Name: (1-methylpiperidin-1-ium-3-yl) 2,3-dihydro-1,4-benzodioxine-6-carboxylate chloride Traditional Name: 2,3-dihydro-1,4-benzodioxin-6-carboxylic acid (1-methylpiperidin-1-ium-3-yl) ester chloride Formula: C15H20ClNO4 MolecularWeight: 313.7766

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCCC(C1)OC(=O)C2=CC3=C(C=C2)OCCO3.[Cl-]

Isomeric SMILES

C[NH+]1CCCC(C1)OC(=O)C2=CC3=C(C=C2)OCCO3.[Cl-]

InChI

InChI=1S/C15H19NO4.ClH/c1-16-6-2-3-12(10-16)20-15(17)11-4-5-13-14(9-11)19-8-7-18-13;/h4-5,9,12H,2-3,6-8,10H2,1H3;1H