(1-methyl-1-azoniabicyclo[2.2.2]octan-3-yl) benzoate bromide

Systemtic Name: (1-methyl-1-azoniabicyclo[2.2.2]octan-3-yl) benzoate bromide Openeye Name: (1-methylquinuclidin-1-ium-3-yl) benzoate bromide CAS Name: benzoic acid (1-methyl-1-azoniabicyclo[2.2.2]octan-3-yl) ester bromide IUPAC Name: (1-methyl-1-azoniabicyclo[2.2.2]octan-3-yl) benzoate bromide Traditional Name: benzoic acid (1-methylquinuclidin-1-ium-3-yl) ester bromide Formula: C15H20BrNO2 MolecularWeight: 326.2288

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]12CCC(CC1)C(C2)OC(=O)C3=CC=CC=C3.[Br-]

Isomeric SMILES

C[N+]12CCC(CC1)C(C2)OC(=O)C3=CC=CC=C3.[Br-]

InChI

InChI=1S/C15H20NO2.BrH/c1-16-9-7-12(8-10-16)14(11-16)18-15(17)13-5-3-2-4-6-13;/h2-6,12,14H,7-11H2,1H3;1H/q+1;/p-1