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

Systemtic Name: [(1R,5S)-8-propan-2-yl-8-propyl-8-azoniabicyclo[3.2.1]octan-3-yl] 2-phenylcyclohex-2-ene-1-carboxylate Openeye Name: [(1R,5S)-8-isopropyl-8-propyl-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-propan-2-yl-8-propyl-8-azoniabicyclo[3.2.1]octan-3-yl] ester IUPAC Name: [(1R,5S)-8-propan-2-yl-8-propyl-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-isopropyl-8-propyl-8-azoniabicyclo[3.2.1]octan-3-yl] ester Formula: C26H38NO2+ MolecularWeight: 396.58542

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H38NO2/c1-4-16-27(19(2)3)21-14-15-22(27)18-23(17-21)29-26(28)25-13-9-8-12-24(25)20-10-6-5-7-11-20/h5-7,10-12,19,21-23,25H,4,8-9,13-18H2,1-3H3/q+1/t21-,22+,23?,25?,27?