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

Systemtic Name: N-(1-azabicyclo[2.2.2]octan-3-yl)-5-phenyl-furan-2-carboxamide; 4-methylbenzenesulfonic acid Openeye Name: 4-methylbenzenesulfonic acid; 5-phenyl-N-quinuclidin-3-yl-furan-2-carboxamide CAS Name: N-(1-azabicyclo[2.2.2]octan-3-yl)-5-phenyl-2-furancarboxamide; 4-methylbenzenesulfonic acid IUPAC Name: N-(1-azabicyclo[2.2.2]octan-3-yl)-5-phenylfuran-2-carboxamide; 4-methylbenzenesulfonic acid Traditional Name: 5-phenyl-N-quinuclidin-3-yl-2-furamide; tosylic acid Formula: C25H28N2O5S MolecularWeight: 468.56522

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)O.C1CN2CCC1C(C2)NC(=O)C3=CC=C(O3)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.C1CN2CCC1C(C2)NC(=O)C3=CC=C(O3)C4=CC=CC=C4

InChI

InChI=1S/C18H20N2O2.C7H8O3S/c21-18(19-15-12-20-10-8-13(15)9-11-20)17-7-6-16(22-17)14-4-2-1-3-5-14;1-6-2-4-7(5-3-6)11(8,9)10/h1-7,13,15H,8-12H2,(H,19,21);2-5H,1H3,(H,8,9,10)