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

Systemtic Name: N-(1-azabicyclo[2.2.2]octan-3-yl)-5-quinolin-3-yl-furan-2-carboxamide; 4-methylbenzenesulfonic acid Openeye Name: 4-methylbenzenesulfonic acid; 5-(3-quinolyl)-N-quinuclidin-3-yl-furan-2-carboxamide CAS Name: N-(1-azabicyclo[2.2.2]octan-3-yl)-5-(3-quinolinyl)-2-furancarboxamide; 4-methylbenzenesulfonic acid IUPAC Name: N-(1-azabicyclo[2.2.2]octan-3-yl)-5-quinolin-3-ylfuran-2-carboxamide; 4-methylbenzenesulfonic acid Traditional Name: 5-(3-quinolyl)-N-quinuclidin-3-yl-2-furamide; tosylic acid Formula: C28H29N3O5S MolecularWeight: 519.61196

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)O.C1CN2CCC1C(C2)NC(=O)C3=CC=C(O3)C4=CC5=CC=CC=C5N=C4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.C1CN2CCC1C(C2)NC(=O)C3=CC=C(O3)C4=CC5=CC=CC=C5N=C4

InChI

InChI=1S/C21H21N3O2.C7H8O3S/c25-21(23-18-13-24-9-7-14(18)8-10-24)20-6-5-19(26-20)16-11-15-3-1-2-4-17(15)22-12-16;1-6-2-4-7(5-3-6)11(8,9)10/h1-6,11-12,14,18H,7-10,13H2,(H,23,25);2-5H,1H3,(H,8,9,10)