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

Systemtic Name: N-(1-azabicyclo[2.2.2]octan-3-yl)-5-methyl-1,3-thiazole-2-carboxamide; 4-methylbenzenesulfonic acid Openeye Name: 4-methylbenzenesulfonic acid; 5-methyl-N-quinuclidin-3-yl-thiazole-2-carboxamide CAS Name: N-(1-azabicyclo[2.2.2]octan-3-yl)-5-methyl-2-thiazolecarboxamide; 4-methylbenzenesulfonic acid IUPAC Name: N-(1-azabicyclo[2.2.2]octan-3-yl)-5-methyl-1,3-thiazole-2-carboxamide; 4-methylbenzenesulfonic acid Traditional Name: 5-methyl-N-quinuclidin-3-yl-thiazole-2-carboxamide; tosylic acid Formula: C19H25N3O4S2 MolecularWeight: 423.5495

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)O.CC1=CN=C(S1)C(=O)NC2CN3CCC2CC3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.CC1=CN=C(S1)C(=O)NC2CN3CCC2CC3

InChI

InChI=1S/C12H17N3OS.C7H8O3S/c1-8-6-13-12(17-8)11(16)14-10-7-15-4-2-9(10)3-5-15;1-6-2-4-7(5-3-6)11(8,9)10/h6,9-10H,2-5,7H2,1H3,(H,14,16);2-5H,1H3,(H,8,9,10)