[(1S,5R)-8-deuterio-8-ethyl-8-azoniabicyclo[3.2.1]octan-3-yl] 3-oxidanyl-2-phenyl-propanoate

Systemtic Name: [(1S,5R)-8-deuterio-8-ethyl-8-azoniabicyclo[3.2.1]octan-3-yl] 3-oxidanyl-2-phenyl-propanoate Openeye Name: [(1S,5R)-8-deuterio-8-ethyl-8-azoniabicyclo[3.2.1]octan-3-yl] 3-hydroxy-2-phenyl-propanoate CAS Name: 3-hydroxy-2-phenylpropanoic acid [(1S,5R)-8-deuterio-8-ethyl-8-azoniabicyclo[3.2.1]octan-3-yl] ester IUPAC Name: [(1S,5R)-8-deuterio-8-ethyl-8-azoniabicyclo[3.2.1]octan-3-yl] 3-hydroxy-2-phenylpropanoate Traditional Name: 3-hydroxy-2-phenyl-propionic acid [(1S,5R)-8-deuterio-8-ethyl-8-azoniabicyclo[3.2.1]octan-3-yl] ester Formula: C18H26NO3+ MolecularWeight: 305.410102

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1C2CCC1CC(C2)OC(=O)C(CO)C3=CC=CC=C3

Isomeric SMILES

[2H][N+]1([C@@H]2CC[C@H]1CC(C2)OC(=O)C(CO)C3=CC=CC=C3)CC

InChI

InChI=1S/C18H25NO3/c1-2-19-14-8-9-15(19)11-16(10-14)22-18(21)17(12-20)13-6-4-3-5-7-13/h3-7,14-17,20H,2,8-12H2,1H3/p+1/t14-,15+,16?,17?/i/hD