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

Systemtic Name: N-(1-azabicyclo[2.2.2]octan-3-yl)-5-thiophen-3-yl-furan-2-carboxamide; 4-methylbenzenesulfonic acid Openeye Name: 4-methylbenzenesulfonic acid; N-quinuclidin-3-yl-5-(3-thienyl)furan-2-carboxamide CAS Name: N-(1-azabicyclo[2.2.2]octan-3-yl)-5-(3-thiophenyl)-2-furancarboxamide; 4-methylbenzenesulfonic acid IUPAC Name: N-(1-azabicyclo[2.2.2]octan-3-yl)-5-thiophen-3-ylfuran-2-carboxamide; 4-methylbenzenesulfonic acid Traditional Name: N-quinuclidin-3-yl-5-(3-thienyl)-2-furamide; tosylic acid Formula: C23H26N2O5S2 MolecularWeight: 474.59294

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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=CSC=C4

Isomeric SMILES

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

InChI

InChI=1S/C16H18N2O2S.C7H8O3S/c19-16(17-13-9-18-6-3-11(13)4-7-18)15-2-1-14(20-15)12-5-8-21-10-12;1-6-2-4-7(5-3-6)11(8,9)10/h1-2,5,8,10-11,13H,3-4,6-7,9H2,(H,17,19);2-5H,1H3,(H,8,9,10)