(8-methyl-8-azabicyclo[3.2.1]octan-3-yl) (2S)-3-oxidanyl-2-phenyl-propanoate sulfate

Systemtic Name: (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) (2S)-3-oxidanyl-2-phenyl-propanoate sulfate Openeye Name: (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) (2S)-3-hydroxy-2-phenyl-propanoate sulfate CAS Name: (2S)-3-hydroxy-2-phenylpropanoic acid (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) ester sulfate IUPAC Name: (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) (2S)-3-hydroxy-2-phenylpropanoate sulfate Traditional Name: (2S)-3-hydroxy-2-phenyl-propionic acid (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) ester sulfate Formula: C17H23NO7S-2 MolecularWeight: 385.43202

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2CCC1CC(C2)OC(=O)C(CO)C3=CC=CC=C3.[O-]S(=O)(=O)[O-]

Isomeric SMILES

CN1C2CCC1CC(C2)OC(=O)[C@H](CO)C3=CC=CC=C3.[O-]S(=O)(=O)[O-]

InChI

InChI=1S/C17H23NO3.H2O4S/c1-18-13-7-8-14(18)10-15(9-13)21-17(20)16(11-19)12-5-3-2-4-6-12;1-5(2,3)4/h2-6,13-16,19H,7-11H2,1H3;(H2,1,2,3,4)/p-2/t13?,14?,15?,16-;/m1./s1