(8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl) 1-phenylcyclopentane-1-carboxylate

Systemtic Name: (8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl) 1-phenylcyclopentane-1-carboxylate Openeye Name: (8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl) 1-phenylcyclopentanecarboxylate CAS Name: 1-phenyl-1-cyclopentanecarboxylic acid (8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl) ester IUPAC Name: (8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl) 1-phenylcyclopentane-1-carboxylate Traditional Name: 1-phenylcyclopentanecarboxylic acid (8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl) ester Formula: C21H30NO2+ MolecularWeight: 328.4684

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(C2CCC1CC(C2)OC(=O)C3(CCCC3)C4=CC=CC=C4)C

Isomeric SMILES

C[N+]1(C2CCC1CC(C2)OC(=O)C3(CCCC3)C4=CC=CC=C4)C

InChI

InChI=1S/C21H30NO2/c1-22(2)17-10-11-18(22)15-19(14-17)24-20(23)21(12-6-7-13-21)16-8-4-3-5-9-16/h3-5,8-9,17-19H,6-7,10-15H2,1-2H3/q+1