(8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl) (2R)-3-oxidanyl-2-phenyl-propanoate bromide

Systemtic Name: (8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl) (2R)-3-oxidanyl-2-phenyl-propanoate bromide Openeye Name: (8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl) (2R)-3-hydroxy-2-phenyl-propanoate bromide CAS Name: (2R)-3-hydroxy-2-phenylpropanoic acid (8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl) ester bromide IUPAC Name: (8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl) (2R)-3-hydroxy-2-phenylpropanoate bromide Traditional Name: (2R)-3-hydroxy-2-phenyl-propionic acid (8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl) ester bromide Formula: C18H26BrNO3 MolecularWeight: 384.30794

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(C2CCC1CC(C2)OC(=O)C(CO)C3=CC=CC=C3)C.[Br-]

Isomeric SMILES

C[N+]1(C2CCC1CC(C2)OC(=O)[C@@H](CO)C3=CC=CC=C3)C.[Br-]

InChI

InChI=1S/C18H26NO3.BrH/c1-19(2)14-8-9-15(19)11-16(10-14)22-18(21)17(12-20)13-6-4-3-5-7-13;/h3-7,14-17,20H,8-12H2,1-2H3;1H/q+1;/p-1/t14?,15?,16?,17-;/m0./s1