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

Systemtic Name: [(1R,5S)-8-methyl-8-propan-2-yl-8-azoniabicyclo[3.2.1]octan-3-yl] 2-phenylcyclohexane-1-carboxylate Openeye Name: [(1R,5S)-8-isopropyl-8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl] 2-phenylcyclohexanecarboxylate CAS Name: 2-phenyl-1-cyclohexanecarboxylic acid [(1R,5S)-8-methyl-8-propan-2-yl-8-azoniabicyclo[3.2.1]octan-3-yl] ester IUPAC Name: [(1R,5S)-8-methyl-8-propan-2-yl-8-azoniabicyclo[3.2.1]octan-3-yl] 2-phenylcyclohexane-1-carboxylate Traditional Name: 2-phenylcyclohexanecarboxylic acid [(1R,5S)-8-isopropyl-8-methyl-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(C)[N+]1(C2CCC1CC(C2)OC(=O)C3CCCCC3C4=CC=CC=C4)C

Isomeric SMILES

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

InChI

InChI=1S/C24H36NO2/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/h4-6,9-10,17,19-23H,7-8,11-16H2,1-3H3/q+1/t19-,20+,21?,22?,23?,25?