(8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl) 1-phenylcyclopentane-1-carboxylate chloride

Systemtic Name: (8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl) 1-phenylcyclopentane-1-carboxylate chloride Openeye Name: (8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl) 1-phenylcyclopentanecarboxylate chloride CAS Name: 1-phenyl-1-cyclopentanecarboxylic acid (8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl) ester chloride IUPAC Name: (8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl) 1-phenylcyclopentane-1-carboxylate chloride Traditional Name: 1-phenylcyclopentanecarboxylic acid (8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl) ester chloride Formula: C20H28ClNO2 MolecularWeight: 349.89482

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1C2CCC1CC(C2)OC(=O)C3(CCCC3)C4=CC=CC=C4.[Cl-]

Isomeric SMILES

C[NH+]1C2CCC1CC(C2)OC(=O)C3(CCCC3)C4=CC=CC=C4.[Cl-]

InChI

InChI=1S/C20H27NO2.ClH/c1-21-16-9-10-17(21)14-18(13-16)23-19(22)20(11-5-6-12-20)15-7-3-2-4-8-15;/h2-4,7-8,16-18H,5-6,9-14H2,1H3;1H