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

Systemtic Name: 5-bromanyl-N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)thiophene-2-carboxamide; 4-methylbenzenesulfonic acid Openeye Name: 5-bromo-N-(2-methylquinuclidin-3-yl)thiophene-2-carboxamide; 4-methylbenzenesulfonic acid CAS Name: 5-bromo-N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)-2-thiophenecarboxamide; 4-methylbenzenesulfonic acid IUPAC Name: 5-bromo-N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)thiophene-2-carboxamide; 4-methylbenzenesulfonic acid Traditional Name: 5-bromo-N-(2-methylquinuclidin-3-yl)thiophene-2-carboxamide; tosylic acid Formula: C20H25BrN2O4S2 MolecularWeight: 501.4575

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1C(C2CCN1CC2)NC(=O)C3=CC=C(S3)Br.CC1=CC=C(C=C1)S(=O)(=O)O

Isomeric SMILES

CC1C(C2CCN1CC2)NC(=O)C3=CC=C(S3)Br.CC1=CC=C(C=C1)S(=O)(=O)O

InChI

InChI=1S/C13H17BrN2OS.C7H8O3S/c1-8-12(9-4-6-16(8)7-5-9)15-13(17)10-2-3-11(14)18-10;1-6-2-4-7(5-3-6)11(8,9)10/h2-3,8-9,12H,4-7H2,1H3,(H,15,17);2-5H,1H3,(H,8,9,10)