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

Systemtic Name: N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-4-methyl-5-phenyl-1,3-thiazole-2-carboxamide Openeye Name: 4-methyl-5-phenyl-N-[(3R)-quinuclidin-3-yl]thiazole-2-carboxamide CAS Name: N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-4-methyl-5-phenyl-2-thiazolecarboxamide IUPAC Name: N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-4-methyl-5-phenyl-1,3-thiazole-2-carboxamide Traditional Name: 4-methyl-5-phenyl-N-[(3R)-quinuclidin-3-yl]thiazole-2-carboxamide Formula: C18H21N3OS MolecularWeight: 327.44384

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)C(=O)NC2CN3CCC2CC3)C4=CC=CC=C4

Isomeric SMILES

CC1=C(SC(=N1)C(=O)N[C@H]2CN3CCC2CC3)C4=CC=CC=C4

InChI

InChI=1S/C18H21N3OS/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/h2-6,13,15H,7-11H2,1H3,(H,20,22)/t15-/m0/s1