(9,9-dimethyl-9-azoniabicyclo[3.3.1]nonan-3-yl) benzoate

Systemtic Name: (9,9-dimethyl-9-azoniabicyclo[3.3.1]nonan-3-yl) benzoate Openeye Name: (9,9-dimethyl-9-azoniabicyclo[3.3.1]nonan-3-yl) benzoate CAS Name: benzoic acid (9,9-dimethyl-9-azoniabicyclo[3.3.1]nonan-3-yl) ester IUPAC Name: (9,9-dimethyl-9-azoniabicyclo[3.3.1]nonan-3-yl) benzoate Traditional Name: benzoic acid (9,9-dimethyl-9-azoniabicyclo[3.3.1]nonan-3-yl) ester Formula: C17H24NO2+ MolecularWeight: 274.37796

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(C2CCCC1CC(C2)OC(=O)C3=CC=CC=C3)C

Isomeric SMILES

C[N+]1(C2CCCC1CC(C2)OC(=O)C3=CC=CC=C3)C

InChI

InChI=1S/C17H24NO2/c1-18(2)14-9-6-10-15(18)12-16(11-14)20-17(19)13-7-4-3-5-8-13/h3-5,7-8,14-16H,6,9-12H2,1-2H3/q+1