[(1R,5S)-8,8-diethyl-8-azoniabicyclo[3.2.1]octan-3-yl] 2-phenylcyclohexane-1-carboxylate

Systemtic Name: [(1R,5S)-8,8-diethyl-8-azoniabicyclo[3.2.1]octan-3-yl] 2-phenylcyclohexane-1-carboxylate Openeye Name: [(1R,5S)-8,8-diethyl-8-azoniabicyclo[3.2.1]octan-3-yl] 2-phenylcyclohexanecarboxylate CAS Name: 2-phenyl-1-cyclohexanecarboxylic acid [(1R,5S)-8,8-diethyl-8-azoniabicyclo[3.2.1]octan-3-yl] ester IUPAC Name: [(1R,5S)-8,8-diethyl-8-azoniabicyclo[3.2.1]octan-3-yl] 2-phenylcyclohexane-1-carboxylate Traditional Name: 2-phenylcyclohexanecarboxylic acid [(1R,5S)-8,8-diethyl-8-azoniabicyclo[3.2.1]octan-3-yl] ester Formula: C24H36NO2+ MolecularWeight: 370.54814

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1(C2CCC1CC(C2)OC(=O)C3CCCCC3C4=CC=CC=C4)CC

Isomeric SMILES

CC[N+]1([C@@H]2CC[C@H]1CC(C2)OC(=O)C3CCCCC3C4=CC=CC=C4)CC

InChI

InChI=1S/C24H36NO2/c1-3-25(4-2)19-14-15-20(25)17-21(16-19)27-24(26)23-13-9-8-12-22(23)18-10-6-5-7-11-18/h5-7,10-11,19-23H,3-4,8-9,12-17H2,1-2H3/q+1/t19-,20+,21?,22?,23?