[(1R,5S)-8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl] 2-phenylpropanoate

Systemtic Name: [(1R,5S)-8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl] 2-phenylpropanoate Openeye Name: [(1R,5S)-8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl] 2-phenylpropanoate CAS Name: 2-phenylpropanoic acid [(1R,5S)-8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl] ester IUPAC Name: [(1R,5S)-8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl] 2-phenylpropanoate Traditional Name: 2-phenylpropionic acid [(1R,5S)-8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl] ester Formula: C18H26NO2+ MolecularWeight: 288.40454

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)C(=O)OC2CC3CCC(C2)[N+]3(C)C

Isomeric SMILES

CC(C1=CC=CC=C1)C(=O)OC2C[C@H]3CC[C@@H](C2)[N+]3(C)C

InChI

InChI=1S/C18H26NO2/c1-13(14-7-5-4-6-8-14)18(20)21-17-11-15-9-10-16(12-17)19(15,2)3/h4-8,13,15-17H,9-12H2,1-3H3/q+1/t13?,15-,16+,17?