3-(1-phenylpiperidin-1-ium-4-yl)propyl 2-cyclopentyl-2-oxidanyl-2-phenyl-ethanoate chloride

Systemtic Name: 3-(1-phenylpiperidin-1-ium-4-yl)propyl 2-cyclopentyl-2-oxidanyl-2-phenyl-ethanoate chloride Openeye Name: 3-(1-phenylpiperidin-1-ium-4-yl)propyl 2-cyclopentyl-2-hydroxy-2-phenyl-acetate chloride CAS Name: 2-cyclopentyl-2-hydroxy-2-phenylacetic acid 3-(1-phenyl-4-piperidin-1-iumyl)propyl ester chloride IUPAC Name: 3-(1-phenylpiperidin-1-ium-4-yl)propyl 2-cyclopentyl-2-hydroxy-2-phenylacetate chloride Traditional Name: 2-cyclopentyl-2-hydroxy-2-phenyl-acetic acid 3-(1-phenylpiperidin-1-ium-4-yl)propyl ester chloride Formula: C27H36ClNO3 MolecularWeight: 458.03264

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)C(C2=CC=CC=C2)(C(=O)OCCCC3CC[NH+](CC3)C4=CC=CC=C4)O.[Cl-]

Isomeric SMILES

C1CCC(C1)C(C2=CC=CC=C2)(C(=O)OCCCC3CC[NH+](CC3)C4=CC=CC=C4)O.[Cl-]

InChI

InChI=1S/C27H35NO3.ClH/c29-26(27(30,24-13-7-8-14-24)23-11-3-1-4-12-23)31-21-9-10-22-17-19-28(20-18-22)25-15-5-2-6-16-25;/h1-6,11-12,15-16,22,24,30H,7-10,13-14,17-21H2;1H