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

Systemtic Name: 1-azoniabicyclo[2.2.2]oct-2-en-3-ylmethyl 3-methyl-2-oxidanyl-2-phenyl-butanoate chloride Openeye Name: 1-azoniabicyclo[2.2.2]oct-2-en-3-ylmethyl 2-hydroxy-3-methyl-2-phenyl-butanoate chloride CAS Name: 2-hydroxy-3-methyl-2-phenylbutanoic 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-hydroxy-3-methyl-2-phenylbutanoate chloride Traditional Name: 2-hydroxy-3-methyl-2-phenyl-butyric acid 1-azoniabicyclo[2.2.2]oct-2-en-3-ylmethyl ester chloride Formula: C19H26ClNO3 MolecularWeight: 351.86764

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C1=CC=CC=C1)(C(=O)OCC2=C[NH+]3CCC2CC3)O.[Cl-]

Isomeric SMILES

CC(C)C(C1=CC=CC=C1)(C(=O)OCC2=C[NH+]3CCC2CC3)O.[Cl-]

InChI

InChI=1S/C19H25NO3.ClH/c1-14(2)19(22,17-6-4-3-5-7-17)18(21)23-13-16-12-20-10-8-15(16)9-11-20;/h3-7,12,14-15,22H,8-11,13H2,1-2H3;1H