[(1R,5S)-8-butyl-8-ethyl-8-azoniabicyclo[3.2.1]octan-3-yl] 2-phenylcyclohex-2-ene-1-carboxylate

Systemtic Name: [(1R,5S)-8-butyl-8-ethyl-8-azoniabicyclo[3.2.1]octan-3-yl] 2-phenylcyclohex-2-ene-1-carboxylate Openeye Name: [(1R,5S)-8-butyl-8-ethyl-8-azoniabicyclo[3.2.1]octan-3-yl] 2-phenylcyclohex-2-ene-1-carboxylate CAS Name: 2-phenyl-1-cyclohex-2-enecarboxylic acid [(1R,5S)-8-butyl-8-ethyl-8-azoniabicyclo[3.2.1]octan-3-yl] ester IUPAC Name: [(1R,5S)-8-butyl-8-ethyl-8-azoniabicyclo[3.2.1]octan-3-yl] 2-phenylcyclohex-2-ene-1-carboxylate Traditional Name: 2-phenylcyclohex-2-ene-1-carboxylic acid [(1R,5S)-8-butyl-8-ethyl-8-azoniabicyclo[3.2.1]octan-3-yl] ester Formula: C26H38NO2+ MolecularWeight: 396.58542

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[N+]1(C2CCC1CC(C2)OC(=O)C3CCCC=C3C4=CC=CC=C4)CC

Isomeric SMILES

CCCC[N+]1([C@@H]2CC[C@H]1CC(C2)OC(=O)C3CCCC=C3C4=CC=CC=C4)CC

InChI

InChI=1S/C26H38NO2/c1-3-5-17-27(4-2)21-15-16-22(27)19-23(18-21)29-26(28)25-14-10-9-13-24(25)20-11-7-6-8-12-20/h6-8,11-13,21-23,25H,3-5,9-10,14-19H2,1-2H3/q+1/t21-,22+,23?,25?,27?