4-chloranyl-N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)benzamide; 4-methylbenzenesulfonic acid

Systemtic Name: 4-chloranyl-N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)benzamide; 4-methylbenzenesulfonic acid Openeye Name: 4-chloro-N-(2-methylquinuclidin-3-yl)benzamide; 4-methylbenzenesulfonic acid CAS Name: 4-chloro-N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)benzamide; 4-methylbenzenesulfonic acid IUPAC Name: 4-chloro-N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)benzamide; 4-methylbenzenesulfonic acid Traditional Name: 4-chloro-N-(2-methylquinuclidin-3-yl)benzamide; tosylic acid Formula: C22H27ClN2O4S MolecularWeight: 450.97878

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H19ClN2O.C7H8O3S/c1-10-14(11-6-8-18(10)9-7-11)17-15(19)12-2-4-13(16)5-3-12;1-6-2-4-7(5-3-6)11(8,9)10/h2-5,10-11,14H,6-9H2,1H3,(H,17,19);2-5H,1H3,(H,8,9,10)