(1,3-dimethylpiperidin-1-ium-4-yl) 2-cyclopentyl-2-oxidanyl-2-phenyl-ethanoate chloride

Systemtic Name: (1,3-dimethylpiperidin-1-ium-4-yl) 2-cyclopentyl-2-oxidanyl-2-phenyl-ethanoate chloride Openeye Name: (1,3-dimethylpiperidin-1-ium-4-yl) 2-cyclopentyl-2-hydroxy-2-phenyl-acetate chloride CAS Name: 2-cyclopentyl-2-hydroxy-2-phenylacetic acid (1,3-dimethyl-4-piperidin-1-iumyl) ester chloride IUPAC Name: (1,3-dimethylpiperidin-1-ium-4-yl) 2-cyclopentyl-2-hydroxy-2-phenylacetate chloride Traditional Name: 2-cyclopentyl-2-hydroxy-2-phenyl-acetic acid (1,3-dimethylpiperidin-1-ium-4-yl) ester chloride Formula: C20H30ClNO3 MolecularWeight: 367.9101

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Descriptors Computed from Structure

Canonical SMILES:

CC1C[NH+](CCC1OC(=O)C(C2CCCC2)(C3=CC=CC=C3)O)C.[Cl-]

Isomeric SMILES

CC1C[NH+](CCC1OC(=O)C(C2CCCC2)(C3=CC=CC=C3)O)C.[Cl-]

InChI

InChI=1S/C20H29NO3.ClH/c1-15-14-21(2)13-12-18(15)24-19(22)20(23,17-10-6-7-11-17)16-8-4-3-5-9-16;/h3-5,8-9,15,17-18,23H,6-7,10-14H2,1-2H3;1H