(8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl) benzoate

Systemtic Name: (8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl) benzoate Openeye Name: (8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl) benzoate CAS Name: benzoic 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) benzoate Traditional Name: benzoic acid (8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl) ester Formula: C16H22NO2+ MolecularWeight: 260.35138

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22NO2/c1-17(2)13-8-9-14(17)11-15(10-13)19-16(18)12-6-4-3-5-7-12/h3-7,13-15H,8-11H2,1-2H3/q+1