[(1S,5R)-8-methyl-8-propan-2-yl-8-azoniabicyclo[3.2.1]octan-3-yl] 2-phenylprop-2-enoate bromide

Systemtic Name: [(1S,5R)-8-methyl-8-propan-2-yl-8-azoniabicyclo[3.2.1]octan-3-yl] 2-phenylprop-2-enoate bromide Openeye Name: [(1S,5R)-8-isopropyl-8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl] 2-phenylprop-2-enoate bromide CAS Name: 2-phenyl-2-propenoic acid [(1S,5R)-8-methyl-8-propan-2-yl-8-azoniabicyclo[3.2.1]octan-3-yl] ester bromide IUPAC Name: [(1S,5R)-8-methyl-8-propan-2-yl-8-azoniabicyclo[3.2.1]octan-3-yl] 2-phenylprop-2-enoate bromide Traditional Name: 2-phenylacrylic acid [(1S,5R)-8-isopropyl-8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl] ester bromide Formula: C20H28BrNO2 MolecularWeight: 394.34582

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(C)[N+]1([C@@H]2CC[C@H]1CC(C2)OC(=O)C(=C)C3=CC=CC=C3)C.[Br-]

InChI

InChI=1S/C20H28NO2.BrH/c1-14(2)21(4)17-10-11-18(21)13-19(12-17)23-20(22)15(3)16-8-6-5-7-9-16;/h5-9,14,17-19H,3,10-13H2,1-2,4H3;1H/q+1;/p-1/t17-,18+,19?,21?;