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

Systemtic Name: 1-morpholin-4-ium-4-ylpropan-2-yl 2,3-dihydro-1,4-benzodioxine-3-carboxylate chloride Openeye Name: (1-methyl-2-morpholin-4-ium-4-yl-ethyl) 2,3-dihydro-1,4-benzodioxine-3-carboxylate chloride CAS Name: 2,3-dihydro-1,4-benzodioxin-3-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-3-carboxylate chloride Traditional Name: 2,3-dihydro-1,4-benzodioxin-3-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)C2COC3=CC=CC=C3O2.[Cl-]

Isomeric SMILES

CC(C[NH+]1CCOCC1)OC(=O)C2COC3=CC=CC=C3O2.[Cl-]

InChI

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