N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-6-cyclopropyl-1,2-benzothiazole-3-carboxamide

Systemtic Name: N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-6-cyclopropyl-1,2-benzothiazole-3-carboxamide Openeye Name: 6-cyclopropyl-N-[(3R)-quinuclidin-3-yl]-1,2-benzothiazole-3-carboxamide CAS Name: N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-6-cyclopropyl-1,2-benzothiazole-3-carboxamide IUPAC Name: N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-6-cyclopropyl-1,2-benzothiazole-3-carboxamide Traditional Name: 6-cyclopropyl-N-[(3R)-quinuclidin-3-yl]-1,2-benzothiazole-3-carboxamide Formula: C18H21N3OS MolecularWeight: 327.44384

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=CC3=C(C=C2)C(=NS3)C(=O)NC4CN5CCC4CC5

Isomeric SMILES

C1CC1C2=CC3=C(C=C2)C(=NS3)C(=O)N[C@H]4CN5CCC4CC5

InChI

InChI=1S/C18H21N3OS/c22-18(19-15-10-21-7-5-12(15)6-8-21)17-14-4-3-13(11-1-2-11)9-16(14)23-20-17/h3-4,9,11-12,15H,1-2,5-8,10H2,(H,19,22)/t15-/m0/s1