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

Systemtic Name: (9,9-dimethyl-9-azoniabicyclo[3.3.1]nonan-3-yl) benzoate chloride Openeye Name: (9,9-dimethyl-9-azoniabicyclo[3.3.1]nonan-3-yl) benzoate chloride CAS Name: benzoic acid (9,9-dimethyl-9-azoniabicyclo[3.3.1]nonan-3-yl) ester chloride IUPAC Name: (9,9-dimethyl-9-azoniabicyclo[3.3.1]nonan-3-yl) benzoate chloride Traditional Name: benzoic acid (9,9-dimethyl-9-azoniabicyclo[3.3.1]nonan-3-yl) ester chloride Formula: C17H24ClNO2 MolecularWeight: 309.83096

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H24NO2.ClH/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;1H/q+1;/p-1