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

Systemtic Name: [(1R,5S)-8-methyl-8-propan-2-yl-8-azoniabicyclo[3.2.1]octan-3-yl] 2-cyclopentyl-2-phenyl-ethanoate bromide Openeye Name: [(1R,5S)-8-isopropyl-8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl] 2-cyclopentyl-2-phenyl-acetate bromide CAS Name: 2-cyclopentyl-2-phenylacetic acid [(1R,5S)-8-methyl-8-propan-2-yl-8-azoniabicyclo[3.2.1]octan-3-yl] ester bromide IUPAC Name: [(1R,5S)-8-methyl-8-propan-2-yl-8-azoniabicyclo[3.2.1]octan-3-yl] 2-cyclopentyl-2-phenylacetate bromide Traditional Name: 2-cyclopentyl-2-phenyl-acetic acid [(1R,5S)-8-isopropyl-8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl] ester bromide Formula: C24H36BrNO2 MolecularWeight: 450.45214

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[N+]1(C2CCC1CC(C2)OC(=O)C(C3CCCC3)C4=CC=CC=C4)C.[Br-]

Isomeric SMILES

CC(C)[N+]1([C@@H]2CC[C@H]1CC(C2)OC(=O)C(C3CCCC3)C4=CC=CC=C4)C.[Br-]

InChI

InChI=1S/C24H36NO2.BrH/c1-17(2)25(3)20-13-14-21(25)16-22(15-20)27-24(26)23(19-11-7-8-12-19)18-9-5-4-6-10-18;/h4-6,9-10,17,19-23H,7-8,11-16H2,1-3H3;1H/q+1;/p-1/t20-,21+,22?,23?,25?;