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

Systemtic Name: 1-piperidin-1-ium-1-ylpropan-2-yl furan-2-carboxylate chloride Openeye Name: (1-methyl-2-piperidin-1-ium-1-yl-ethyl) furan-2-carboxylate chloride CAS Name: 2-furancarboxylic acid 1-(1-piperidin-1-iumyl)propan-2-yl ester chloride IUPAC Name: 1-piperidin-1-ium-1-ylpropan-2-yl furan-2-carboxylate chloride Traditional Name: furan-2-carboxylic acid (1-methyl-2-piperidin-1-ium-1-yl-ethyl) ester chloride Formula: C13H20ClNO3 MolecularWeight: 273.7558

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Descriptors Computed from Structure

Canonical SMILES:

CC(C[NH+]1CCCCC1)OC(=O)C2=CC=CO2.[Cl-]

Isomeric SMILES

CC(C[NH+]1CCCCC1)OC(=O)C2=CC=CO2.[Cl-]

InChI

InChI=1S/C13H19NO3.ClH/c1-11(10-14-7-3-2-4-8-14)17-13(15)12-6-5-9-16-12;/h5-6,9,11H,2-4,7-8,10H2,1H3;1H