(8-methyl-8-propyl-8-azoniabicyclo[3.2.1]octan-3-yl) 4-oxidanyl-2-phenyl-butanoate bromide

Systemtic Name: (8-methyl-8-propyl-8-azoniabicyclo[3.2.1]octan-3-yl) 4-oxidanyl-2-phenyl-butanoate bromide Openeye Name: (8-methyl-8-propyl-8-azoniabicyclo[3.2.1]octan-3-yl) 4-hydroxy-2-phenyl-butanoate bromide CAS Name: 4-hydroxy-2-phenylbutanoic acid (8-methyl-8-propyl-8-azoniabicyclo[3.2.1]octan-3-yl) ester bromide IUPAC Name: (8-methyl-8-propyl-8-azoniabicyclo[3.2.1]octan-3-yl) 4-hydroxy-2-phenylbutanoate bromide Traditional Name: 4-hydroxy-2-phenyl-butyric acid (8-methyl-8-propyl-8-azoniabicyclo[3.2.1]octan-3-yl) ester bromide Formula: C21H32BrNO3 MolecularWeight: 426.38768

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Descriptors Computed from Structure

Canonical SMILES:

CCC[N+]1(C2CCC1CC(C2)OC(=O)C(CCO)C3=CC=CC=C3)C.[Br-]

Isomeric SMILES

CCC[N+]1(C2CCC1CC(C2)OC(=O)C(CCO)C3=CC=CC=C3)C.[Br-]

InChI

InChI=1S/C21H32NO3.BrH/c1-3-12-22(2)17-9-10-18(22)15-19(14-17)25-21(24)20(11-13-23)16-7-5-4-6-8-16;/h4-8,17-20,23H,3,9-15H2,1-2H3;1H/q+1;/p-1