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

Systemtic Name: [(1S,5R)-8-ethyl-8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl] 3-oxidanyl-2-phenyl-propanoate Openeye Name: [(1S,5R)-8-ethyl-8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl] 3-hydroxy-2-phenyl-propanoate CAS Name: 3-hydroxy-2-phenylpropanoic acid [(1S,5R)-8-ethyl-8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl] ester IUPAC Name: [(1S,5R)-8-ethyl-8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl] 3-hydroxy-2-phenylpropanoate Traditional Name: 3-hydroxy-2-phenyl-propionic acid [(1S,5R)-8-ethyl-8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl] ester Formula: C19H28NO3+ MolecularWeight: 318.43052

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H28NO3/c1-3-20(2)15-9-10-16(20)12-17(11-15)23-19(22)18(13-21)14-7-5-4-6-8-14/h4-8,15-18,21H,3,9-13H2,1-2H3/q+1/t15-,16+,17?,18?,20?