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

Systemtic Name: N-(1-azabicyclo[2.2.2]octan-3-yl)-4-methyl-5-phenyl-1,3-thiazole-2-carboxamide; 4-methylbenzenesulfonic acid Openeye Name: 4-methylbenzenesulfonic acid; 4-methyl-5-phenyl-N-quinuclidin-3-yl-thiazole-2-carboxamide CAS Name: N-(1-azabicyclo[2.2.2]octan-3-yl)-4-methyl-5-phenyl-2-thiazolecarboxamide; 4-methylbenzenesulfonic acid IUPAC Name: N-(1-azabicyclo[2.2.2]octan-3-yl)-4-methyl-5-phenyl-1,3-thiazole-2-carboxamide; 4-methylbenzenesulfonic acid Traditional Name: 4-methyl-5-phenyl-N-quinuclidin-3-yl-thiazole-2-carboxamide; tosylic acid Formula: C25H29N3O4S2 MolecularWeight: 499.64546

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)O.CC1=C(SC(=N1)C(=O)NC2CN3CCC2CC3)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.CC1=C(SC(=N1)C(=O)NC2CN3CCC2CC3)C4=CC=CC=C4

InChI

InChI=1S/C18H21N3OS.C7H8O3S/c1-12-16(14-5-3-2-4-6-14)23-18(19-12)17(22)20-15-11-21-9-7-13(15)8-10-21;1-6-2-4-7(5-3-6)11(8,9)10/h2-6,13,15H,7-11H2,1H3,(H,20,22);2-5H,1H3,(H,8,9,10)