1-azoniabicyclo[2.2.2]oct-2-en-3-ylmethyl 2-cyclopentyl-2-oxidanyl-2-phenyl-ethanoate chloride

Systemtic Name: 1-azoniabicyclo[2.2.2]oct-2-en-3-ylmethyl 2-cyclopentyl-2-oxidanyl-2-phenyl-ethanoate chloride Openeye Name: 1-azoniabicyclo[2.2.2]oct-2-en-3-ylmethyl 2-cyclopentyl-2-hydroxy-2-phenyl-acetate chloride CAS Name: 2-cyclopentyl-2-hydroxy-2-phenylacetic acid 1-azoniabicyclo[2.2.2]oct-2-en-3-ylmethyl ester chloride IUPAC Name: 1-azoniabicyclo[2.2.2]oct-2-en-3-ylmethyl 2-cyclopentyl-2-hydroxy-2-phenylacetate chloride Traditional Name: 2-cyclopentyl-2-hydroxy-2-phenyl-acetic acid 1-azoniabicyclo[2.2.2]oct-2-en-3-ylmethyl ester chloride Formula: C21H28ClNO3 MolecularWeight: 377.90492

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)C(C2=CC=CC=C2)(C(=O)OCC3=C[NH+]4CCC3CC4)O.[Cl-]

Isomeric SMILES

C1CCC(C1)C(C2=CC=CC=C2)(C(=O)OCC3=C[NH+]4CCC3CC4)O.[Cl-]

InChI

InChI=1S/C21H27NO3.ClH/c23-20(25-15-17-14-22-12-10-16(17)11-13-22)21(24,19-8-4-5-9-19)18-6-2-1-3-7-18;/h1-3,6-7,14,16,19,24H,4-5,8-13,15H2;1H