(1-methylpiperidin-1-ium-3-yl) 4-fluoranylbenzoate chloride

Systemtic Name: (1-methylpiperidin-1-ium-3-yl) 4-fluoranylbenzoate chloride Openeye Name: (1-methylpiperidin-1-ium-3-yl) 4-fluorobenzoate chloride CAS Name: 4-fluorobenzoic acid (1-methyl-3-piperidin-1-iumyl) ester chloride IUPAC Name: (1-methylpiperidin-1-ium-3-yl) 4-fluorobenzoate chloride Traditional Name: 4-fluorobenzoic acid (1-methylpiperidin-1-ium-3-yl) ester chloride Formula: C13H17ClFNO2 MolecularWeight: 273.730983

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCCC(C1)OC(=O)C2=CC=C(C=C2)F.[Cl-]

Isomeric SMILES

C[NH+]1CCCC(C1)OC(=O)C2=CC=C(C=C2)F.[Cl-]

InChI

InChI=1S/C13H16FNO2.ClH/c1-15-8-2-3-12(9-15)17-13(16)10-4-6-11(14)7-5-10;/h4-7,12H,2-3,8-9H2,1H3;1H