1-piperidin-1-ium-1-ylpropan-2-yl 3-fluoranylbenzoate chloride

Systemtic Name: 1-piperidin-1-ium-1-ylpropan-2-yl 3-fluoranylbenzoate chloride Openeye Name: (1-methyl-2-piperidin-1-ium-1-yl-ethyl) 3-fluorobenzoate chloride CAS Name: 3-fluorobenzoic acid 1-(1-piperidin-1-iumyl)propan-2-yl ester chloride IUPAC Name: 1-piperidin-1-ium-1-ylpropan-2-yl 3-fluorobenzoate chloride Traditional Name: 3-fluorobenzoic acid (1-methyl-2-piperidin-1-ium-1-yl-ethyl) ester chloride Formula: C15H21ClFNO2 MolecularWeight: 301.784143

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H20FNO2.ClH/c1-12(11-17-8-3-2-4-9-17)19-15(18)13-6-5-7-14(16)10-13;/h5-7,10,12H,2-4,8-9,11H2,1H3;1H