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

Systemtic Name: [(1S,5R)-8-methyl-8-propan-2-yl-8-azoniabicyclo[3.2.1]octan-3-yl] 2-phenylcyclohex-2-ene-1-carboxylate bromide Openeye Name: [(1S,5R)-8-isopropyl-8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl] 2-phenylcyclohex-2-ene-1-carboxylate bromide CAS Name: 2-phenyl-1-cyclohex-2-enecarboxylic 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-phenylcyclohex-2-ene-1-carboxylate bromide Traditional Name: 2-phenylcyclohex-2-ene-1-carboxylic acid [(1S,5R)-8-isopropyl-8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl] ester bromide Formula: C24H34BrNO2 MolecularWeight: 448.43626

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[N+]1(C2CCC1CC(C2)OC(=O)C3CCCC=C3C4=CC=CC=C4)C.[Br-]

Isomeric SMILES

CC(C)[N+]1([C@@H]2CC[C@H]1CC(C2)OC(=O)C3CCCC=C3C4=CC=CC=C4)C.[Br-]

InChI

InChI=1S/C24H34NO2.BrH/c1-17(2)25(3)19-13-14-20(25)16-21(15-19)27-24(26)23-12-8-7-11-22(23)18-9-5-4-6-10-18;/h4-6,9-11,17,19-21,23H,7-8,12-16H2,1-3H3;1H/q+1;/p-1/t19-,20+,21?,23?,25?;