(1-methylpiperidin-1-ium-3-yl) 3-phenylpropanoate chloride

Systemtic Name: (1-methylpiperidin-1-ium-3-yl) 3-phenylpropanoate chloride Openeye Name: (1-methylpiperidin-1-ium-3-yl) 3-phenylpropanoate chloride CAS Name: 3-phenylpropanoic acid (1-methyl-3-piperidin-1-iumyl) ester chloride IUPAC Name: (1-methylpiperidin-1-ium-3-yl) 3-phenylpropanoate chloride Traditional Name: 3-phenylpropionic acid (1-methylpiperidin-1-ium-3-yl) ester chloride Formula: C15H22ClNO2 MolecularWeight: 283.79368

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCCC(C1)OC(=O)CCC2=CC=CC=C2.[Cl-]

Isomeric SMILES

C[NH+]1CCCC(C1)OC(=O)CCC2=CC=CC=C2.[Cl-]

InChI

InChI=1S/C15H21NO2.ClH/c1-16-11-5-8-14(12-16)18-15(17)10-9-13-6-3-2-4-7-13;/h2-4,6-7,14H,5,8-12H2,1H3;1H