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

Systemtic Name: N-(1-azabicyclo[2.2.2]octan-3-yl)-5-thiophen-2-yl-1,3-thiazole-2-carboxamide; 4-methylbenzenesulfonic acid Openeye Name: 4-methylbenzenesulfonic acid; N-quinuclidin-3-yl-5-(2-thienyl)thiazole-2-carboxamide CAS Name: N-(1-azabicyclo[2.2.2]octan-3-yl)-5-thiophen-2-yl-2-thiazolecarboxamide; 4-methylbenzenesulfonic acid IUPAC Name: N-(1-azabicyclo[2.2.2]octan-3-yl)-5-thiophen-2-yl-1,3-thiazole-2-carboxamide; 4-methylbenzenesulfonic acid Traditional Name: N-quinuclidin-3-yl-5-(2-thienyl)thiazole-2-carboxamide; tosylic acid Formula: C22H25N3O4S3 MolecularWeight: 491.6466

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)O.C1CN2CCC1C(C2)NC(=O)C3=NC=C(S3)C4=CC=CS4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.C1CN2CCC1C(C2)NC(=O)C3=NC=C(S3)C4=CC=CS4

InChI

InChI=1S/C15H17N3OS2.C7H8O3S/c19-14(17-11-9-18-5-3-10(11)4-6-18)15-16-8-13(21-15)12-2-1-7-20-12;1-6-2-4-7(5-3-6)11(8,9)10/h1-2,7-8,10-11H,3-6,9H2,(H,17,19);2-5H,1H3,(H,8,9,10)