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

Systemtic Name: (1-propyl-1-azoniabicyclo[2.2.2]octan-3-yl) benzoate bromide Openeye Name: (1-propylquinuclidin-1-ium-3-yl) benzoate bromide CAS Name: benzoic acid (1-propyl-1-azoniabicyclo[2.2.2]octan-3-yl) ester bromide IUPAC Name: (1-propyl-1-azoniabicyclo[2.2.2]octan-3-yl) benzoate bromide Traditional Name: benzoic acid (1-propylquinuclidin-1-ium-3-yl) ester bromide Formula: C17H24BrNO2 MolecularWeight: 354.28196

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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