1-azoniabicyclo[2.2.2]octan-2-ylmethyl 3-methyl-2-oxidanyl-2-phenyl-butanoate chloride

Systemtic Name: 1-azoniabicyclo[2.2.2]octan-2-ylmethyl 3-methyl-2-oxidanyl-2-phenyl-butanoate chloride Openeye Name: quinuclidin-1-ium-2-ylmethyl 2-hydroxy-3-methyl-2-phenyl-butanoate chloride CAS Name: 2-hydroxy-3-methyl-2-phenylbutanoic acid 1-azoniabicyclo[2.2.2]octan-2-ylmethyl ester chloride IUPAC Name: 1-azoniabicyclo[2.2.2]octan-2-ylmethyl 2-hydroxy-3-methyl-2-phenylbutanoate chloride Traditional Name: 2-hydroxy-3-methyl-2-phenyl-butyric acid quinuclidin-1-ium-2-ylmethyl ester chloride Formula: C19H28ClNO3 MolecularWeight: 353.88352

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C1=CC=CC=C1)(C(=O)OCC2CC3CC[NH+]2CC3)O.[Cl-]

Isomeric SMILES

CC(C)C(C1=CC=CC=C1)(C(=O)OCC2CC3CC[NH+]2CC3)O.[Cl-]

InChI

InChI=1S/C19H27NO3.ClH/c1-14(2)19(22,16-6-4-3-5-7-16)18(21)23-13-17-12-15-8-10-20(17)11-9-15;/h3-7,14-15,17,22H,8-13H2,1-2H3;1H