(1-methyl-1-azoniabicyclo[2.2.2]octan-3-yl) 2-cyclohexyl-2-oxidanyl-2-phenyl-ethanoate bromide

Systemtic Name: (1-methyl-1-azoniabicyclo[2.2.2]octan-3-yl) 2-cyclohexyl-2-oxidanyl-2-phenyl-ethanoate bromide Openeye Name: (1-methylquinuclidin-1-ium-3-yl) 2-cyclohexyl-2-hydroxy-2-phenyl-acetate bromide CAS Name: 2-cyclohexyl-2-hydroxy-2-phenylacetic 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) 2-cyclohexyl-2-hydroxy-2-phenylacetate bromide Traditional Name: 2-cyclohexyl-2-hydroxy-2-phenyl-acetic acid (1-methylquinuclidin-1-ium-3-yl) ester bromide Formula: C22H32BrNO3 MolecularWeight: 438.39838

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]12CCC(CC1)C(C2)OC(=O)C(C3CCCCC3)(C4=CC=CC=C4)O.[Br-]

Isomeric SMILES

C[N+]12CCC(CC1)C(C2)OC(=O)C(C3CCCCC3)(C4=CC=CC=C4)O.[Br-]

InChI

InChI=1S/C22H32NO3.BrH/c1-23-14-12-17(13-15-23)20(16-23)26-21(24)22(25,18-8-4-2-5-9-18)19-10-6-3-7-11-19;/h2,4-5,8-9,17,19-20,25H,3,6-7,10-16H2,1H3;1H/q+1;/p-1