(8-methyl-6-oxidanyl-8-azoniabicyclo[3.2.1]octan-3-yl) 3-oxidanyl-2-phenyl-propanoate bromide

Systemtic Name: (8-methyl-6-oxidanyl-8-azoniabicyclo[3.2.1]octan-3-yl) 3-oxidanyl-2-phenyl-propanoate bromide Openeye Name: (6-hydroxy-8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl) 3-hydroxy-2-phenyl-propanoate bromide CAS Name: 3-hydroxy-2-phenylpropanoic acid (6-hydroxy-8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl) ester bromide IUPAC Name: (6-hydroxy-8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl) 3-hydroxy-2-phenylpropanoate bromide Traditional Name: 3-hydroxy-2-phenyl-propionic acid (6-hydroxy-8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl) ester bromide Formula: C17H24BrNO4 MolecularWeight: 386.28076

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1C2CC(CC1C(C2)O)OC(=O)C(CO)C3=CC=CC=C3.[Br-]

Isomeric SMILES

C[NH+]1C2CC(CC1C(C2)O)OC(=O)C(CO)C3=CC=CC=C3.[Br-]

InChI

InChI=1S/C17H23NO4.BrH/c1-18-12-7-13(9-15(18)16(20)8-12)22-17(21)14(10-19)11-5-3-2-4-6-11;/h2-6,12-16,19-20H,7-10H2,1H3;1H