1-piperidin-1-ium-1-ylpropan-2-yl 2,3-dihydro-1,4-benzodioxine-3-carboxylate chloride

Systemtic Name: 1-piperidin-1-ium-1-ylpropan-2-yl 2,3-dihydro-1,4-benzodioxine-3-carboxylate chloride Openeye Name: (1-methyl-2-piperidin-1-ium-1-yl-ethyl) 2,3-dihydro-1,4-benzodioxine-3-carboxylate chloride CAS Name: 2,3-dihydro-1,4-benzodioxin-3-carboxylic acid 1-(1-piperidin-1-iumyl)propan-2-yl ester chloride IUPAC Name: 1-piperidin-1-ium-1-ylpropan-2-yl 2,3-dihydro-1,4-benzodioxine-3-carboxylate chloride Traditional Name: 2,3-dihydro-1,4-benzodioxin-3-carboxylic acid (1-methyl-2-piperidin-1-ium-1-yl-ethyl) ester chloride Formula: C17H24ClNO4 MolecularWeight: 341.82976

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Descriptors Computed from Structure

Canonical SMILES:

CC(C[NH+]1CCCCC1)OC(=O)C2COC3=CC=CC=C3O2.[Cl-]

Isomeric SMILES

CC(C[NH+]1CCCCC1)OC(=O)C2COC3=CC=CC=C3O2.[Cl-]

InChI

InChI=1S/C17H23NO4.ClH/c1-13(11-18-9-5-2-6-10-18)21-17(19)16-12-20-14-7-3-4-8-15(14)22-16;/h3-4,7-8,13,16H,2,5-6,9-12H2,1H3;1H