(1-methylpiperidin-1-ium-3-yl) 2-phenoxyethanoate chloride

Systemtic Name: (1-methylpiperidin-1-ium-3-yl) 2-phenoxyethanoate chloride Openeye Name: (1-methylpiperidin-1-ium-3-yl) 2-phenoxyacetate chloride CAS Name: 2-phenoxyacetic acid (1-methyl-3-piperidin-1-iumyl) ester chloride IUPAC Name: (1-methylpiperidin-1-ium-3-yl) 2-phenoxyacetate chloride Traditional Name: 2-phenoxyacetic acid (1-methylpiperidin-1-ium-3-yl) ester chloride Formula: C14H20ClNO3 MolecularWeight: 285.7665

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCCC(C1)OC(=O)COC2=CC=CC=C2.[Cl-]

Isomeric SMILES

C[NH+]1CCCC(C1)OC(=O)COC2=CC=CC=C2.[Cl-]

InChI

InChI=1S/C14H19NO3.ClH/c1-15-9-5-8-13(10-15)18-14(16)11-17-12-6-3-2-4-7-12;/h2-4,6-7,13H,5,8-11H2,1H3;1H