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

Systemtic Name: [(1R,5S)-8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl] 2-phenylcyclohexane-1-carboxylate Openeye Name: [(1R,5S)-8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl] 2-phenylcyclohexanecarboxylate CAS Name: 2-phenyl-1-cyclohexanecarboxylic acid [(1R,5S)-8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl] ester IUPAC Name: [(1R,5S)-8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl] 2-phenylcyclohexane-1-carboxylate Traditional Name: 2-phenylcyclohexanecarboxylic acid [(1R,5S)-8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl] ester Formula: C22H32NO2+ MolecularWeight: 342.49498

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H32NO2/c1-23(2)17-12-13-18(23)15-19(14-17)25-22(24)21-11-7-6-10-20(21)16-8-4-3-5-9-16/h3-5,8-9,17-21H,6-7,10-15H2,1-2H3/q+1/t17-,18+,19?,20?,21?