N-(1-azabicyclo[2.2.2]octan-3-yl)-5-phenyl-1,2-oxazole-3-carboxamide; 4-methylbenzenesulfonic acid

Systemtic Name: N-(1-azabicyclo[2.2.2]octan-3-yl)-5-phenyl-1,2-oxazole-3-carboxamide; 4-methylbenzenesulfonic acid Openeye Name: 4-methylbenzenesulfonic acid; 5-phenyl-N-quinuclidin-3-yl-isoxazole-3-carboxamide CAS Name: N-(1-azabicyclo[2.2.2]octan-3-yl)-5-phenyl-3-isoxazolecarboxamide; 4-methylbenzenesulfonic acid IUPAC Name: N-(1-azabicyclo[2.2.2]octan-3-yl)-5-phenyl-1,2-oxazole-3-carboxamide; 4-methylbenzenesulfonic acid Traditional Name: 5-phenyl-N-quinuclidin-3-yl-isoxazole-3-carboxamide; tosylic acid Formula: C24H27N3O5S MolecularWeight: 469.55328

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)O.C1CN2CCC1C(C2)NC(=O)C3=NOC(=C3)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.C1CN2CCC1C(C2)NC(=O)C3=NOC(=C3)C4=CC=CC=C4

InChI

InChI=1S/C17H19N3O2.C7H8O3S/c21-17(18-15-11-20-8-6-12(15)7-9-20)14-10-16(22-19-14)13-4-2-1-3-5-13;1-6-2-4-7(5-3-6)11(8,9)10/h1-5,10,12,15H,6-9,11H2,(H,18,21);2-5H,1H3,(H,8,9,10)