2-(8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl)-1-phenyl-1-pyridin-2-yl-ethanol; 4-methylbenzenesulfonate

Systemtic Name: 2-(8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl)-1-phenyl-1-pyridin-2-yl-ethanol; 4-methylbenzenesulfonate Openeye Name: 2-(8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl)-1-phenyl-1-(2-pyridyl)ethanol; 4-methylbenzenesulfonate CAS Name: 2-(8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl)-1-phenyl-1-(2-pyridinyl)ethanol; 4-methylbenzenesulfonate IUPAC Name: 2-(8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl)-1-phenyl-1-pyridin-2-ylethanol; 4-methylbenzenesulfonate Traditional Name: 2-(8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl)-1-phenyl-1-(2-pyridyl)ethanol tosylate Formula: C29H36N2O4S MolecularWeight: 508.67214

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].C[N+]1(C2CCC1CC(C2)CC(C3=CC=CC=C3)(C4=CC=CC=N4)O)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].C[N+]1(C2CCC1CC(C2)CC(C3=CC=CC=C3)(C4=CC=CC=N4)O)C

InChI

InChI=1S/C22H29N2O.C7H8O3S/c1-24(2)19-11-12-20(24)15-17(14-19)16-22(25,18-8-4-3-5-9-18)21-10-6-7-13-23-21;1-6-2-4-7(5-3-6)11(8,9)10/h3-10,13,17,19-20,25H,11-12,14-16H2,1-2H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1