[8-methyl-8-(phenylmethyl)-8-azoniabicyclo[3.2.1]octan-3-yl] 3-oxidanyl-2-phenyl-propanoate bromide

Systemtic Name: [8-methyl-8-(phenylmethyl)-8-azoniabicyclo[3.2.1]octan-3-yl] 3-oxidanyl-2-phenyl-propanoate bromide Openeye Name: (8-benzyl-8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl) 3-hydroxy-2-phenyl-propanoate bromide CAS Name: 3-hydroxy-2-phenylpropanoic acid [8-methyl-8-(phenylmethyl)-8-azoniabicyclo[3.2.1]octan-3-yl] ester bromide IUPAC Name: (8-benzyl-8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl) 3-hydroxy-2-phenylpropanoate bromide Traditional Name: 3-hydroxy-2-phenyl-propionic acid (8-benzyl-8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl) ester bromide Formula: C24H30BrNO3 MolecularWeight: 460.4039

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(C2CCC1CC(C2)OC(=O)C(CO)C3=CC=CC=C3)CC4=CC=CC=C4.[Br-]

Isomeric SMILES

C[N+]1(C2CCC1CC(C2)OC(=O)C(CO)C3=CC=CC=C3)CC4=CC=CC=C4.[Br-]

InChI

InChI=1S/C24H30NO3.BrH/c1-25(16-18-8-4-2-5-9-18)20-12-13-21(25)15-22(14-20)28-24(27)23(17-26)19-10-6-3-7-11-19;/h2-11,20-23,26H,12-17H2,1H3;1H/q+1;/p-1