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

Systemtic Name: [(1S,5R)-8-ethyl-8-propan-2-yl-8-azoniabicyclo[3.2.1]octan-3-yl] 2-phenylcyclohexane-1-carboxylate Openeye Name: [(1S,5R)-8-ethyl-8-isopropyl-8-azoniabicyclo[3.2.1]octan-3-yl] 2-phenylcyclohexanecarboxylate CAS Name: 2-phenyl-1-cyclohexanecarboxylic acid [(1S,5R)-8-ethyl-8-propan-2-yl-8-azoniabicyclo[3.2.1]octan-3-yl] ester IUPAC Name: [(1S,5R)-8-ethyl-8-propan-2-yl-8-azoniabicyclo[3.2.1]octan-3-yl] 2-phenylcyclohexane-1-carboxylate Traditional Name: 2-phenylcyclohexanecarboxylic acid [(1S,5R)-8-ethyl-8-isopropyl-8-azoniabicyclo[3.2.1]octan-3-yl] ester Formula: C25H38NO2+ MolecularWeight: 384.57472

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H38NO2/c1-4-26(18(2)3)20-14-15-21(26)17-22(16-20)28-25(27)24-13-9-8-12-23(24)19-10-6-5-7-11-19/h5-7,10-11,18,20-24H,4,8-9,12-17H2,1-3H3/q+1/t20-,21+,22?,23?,24?,26?