1-piperidin-1-ium-1-ylpropan-2-yl 2,3-dihydro-1,4-benzodioxine-6-carboxylate chloride

Systemtic Name: 1-piperidin-1-ium-1-ylpropan-2-yl 2,3-dihydro-1,4-benzodioxine-6-carboxylate chloride Openeye Name: (1-methyl-2-piperidin-1-ium-1-yl-ethyl) 2,3-dihydro-1,4-benzodioxine-6-carboxylate chloride CAS Name: 2,3-dihydro-1,4-benzodioxin-6-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-6-carboxylate chloride Traditional Name: 2,3-dihydro-1,4-benzodioxin-6-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)C2=CC3=C(C=C2)OCCO3.[Cl-]

Isomeric SMILES

CC(C[NH+]1CCCCC1)OC(=O)C2=CC3=C(C=C2)OCCO3.[Cl-]

InChI

InChI=1S/C17H23NO4.ClH/c1-13(12-18-7-3-2-4-8-18)22-17(19)14-5-6-15-16(11-14)21-10-9-20-15;/h5-6,11,13H,2-4,7-10,12H2,1H3;1H