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

Systemtic Name: (8-methyl-8-pentyl-8-azoniabicyclo[3.2.1]octan-3-yl) 4-oxidanyl-2-phenyl-butanoate bromide Openeye Name: (8-methyl-8-pentyl-8-azoniabicyclo[3.2.1]octan-3-yl) 4-hydroxy-2-phenyl-butanoate bromide CAS Name: 4-hydroxy-2-phenylbutanoic acid (8-methyl-8-pentyl-8-azoniabicyclo[3.2.1]octan-3-yl) ester bromide IUPAC Name: (8-methyl-8-pentyl-8-azoniabicyclo[3.2.1]octan-3-yl) 4-hydroxy-2-phenylbutanoate bromide Traditional Name: 4-hydroxy-2-phenyl-butyric acid (8-amyl-8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl) ester bromide Formula: C23H36BrNO3 MolecularWeight: 454.44084

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H36NO3.BrH/c1-3-4-8-14-24(2)19-11-12-20(24)17-21(16-19)27-23(26)22(13-15-25)18-9-6-5-7-10-18;/h5-7,9-10,19-22,25H,3-4,8,11-17H2,1-2H3;1H/q+1;/p-1