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1-piperidin-1-ium-1-ylpropan-2-yl 1-benzofuran-2-carboxylate chloride

1-piperidin-1-ium-1-ylpropan-2-yl 1-benzofuran-2-carboxylate chloride

Systemtic Name:1-piperidin-1-ium-1-ylpropan-2-yl 1-benzofuran-2-carboxylate chloride
Openeye Name:(1-methyl-2-piperidin-1-ium-1-yl-ethyl) benzofuran-2-carboxylate chloride
CAS Name:2-benzofurancarboxylic acid 1-(1-piperidin-1-iumyl)propan-2-yl ester chloride
IUPAC Name:1-piperidin-1-ium-1-ylpropan-2-yl 1-benzofuran-2-carboxylate chloride
Traditional Name:coumarilic acid (1-methyl-2-piperidin-1-ium-1-yl-ethyl) ester chloride
Formula: C17H22ClNO3
MolecularWeight: 323.81448
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Descriptors Computed from Structure

Canonical SMILES:

CC(C[NH+]1CCCCC1)OC(=O)C2=CC3=CC=CC=C3O2.[Cl-]


Isomeric SMILES

CC(C[NH+]1CCCCC1)OC(=O)C2=CC3=CC=CC=C3O2.[Cl-]


InChI

InChI=1S/C17H21NO3.ClH/c1-13(12-18-9-5-2-6-10-18)20-17(19)16-11-14-7-3-4-8-15(14)21-16;/h3-4,7-8,11,13H,2,5-6,9-10,12H2,1H3;1H


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