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

Systemtic Name: 1-morpholin-4-ium-4-ylpropan-2-yl 2,3-dihydro-1,4-benzodioxine-6-carboxylate chloride Openeye Name: (1-methyl-2-morpholin-4-ium-4-yl-ethyl) 2,3-dihydro-1,4-benzodioxine-6-carboxylate chloride CAS Name: 2,3-dihydro-1,4-benzodioxin-6-carboxylic acid 1-(4-morpholin-4-iumyl)propan-2-yl ester chloride IUPAC Name: 1-morpholin-4-ium-4-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-morpholin-4-ium-4-yl-ethyl) ester chloride Formula: C16H22ClNO5 MolecularWeight: 343.80258

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Descriptors Computed from Structure

Canonical SMILES:

CC(C[NH+]1CCOCC1)OC(=O)C2=CC3=C(C=C2)OCCO3.[Cl-]

Isomeric SMILES

CC(C[NH+]1CCOCC1)OC(=O)C2=CC3=C(C=C2)OCCO3.[Cl-]

InChI

InChI=1S/C16H21NO5.ClH/c1-12(11-17-4-6-19-7-5-17)22-16(18)13-2-3-14-15(10-13)21-9-8-20-14;/h2-3,10,12H,4-9,11H2,1H3;1H