(1-methylpiperidin-1-ium-3-yl) 2-cyclopentyl-2-oxidanyl-2-phenyl-ethanoate chloride

Systemtic Name: (1-methylpiperidin-1-ium-3-yl) 2-cyclopentyl-2-oxidanyl-2-phenyl-ethanoate chloride Openeye Name: (1-methylpiperidin-1-ium-3-yl) 2-cyclopentyl-2-hydroxy-2-phenyl-acetate chloride CAS Name: 2-cyclopentyl-2-hydroxy-2-phenylacetic acid (1-methyl-3-piperidin-1-iumyl) ester chloride IUPAC Name: (1-methylpiperidin-1-ium-3-yl) 2-cyclopentyl-2-hydroxy-2-phenylacetate chloride Traditional Name: 2-cyclopentyl-2-hydroxy-2-phenyl-acetic acid (1-methylpiperidin-1-ium-3-yl) ester chloride Formula: C19H28ClNO3 MolecularWeight: 353.88352

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCCC(C1)OC(=O)C(C2CCCC2)(C3=CC=CC=C3)O.[Cl-]

Isomeric SMILES

C[NH+]1CCCC(C1)OC(=O)C(C2CCCC2)(C3=CC=CC=C3)O.[Cl-]

InChI

InChI=1S/C19H27NO3.ClH/c1-20-13-7-12-17(14-20)23-18(21)19(22,16-10-5-6-11-16)15-8-3-2-4-9-15;/h2-4,8-9,16-17,22H,5-7,10-14H2,1H3;1H