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

Systemtic Name: N-(1-azabicyclo[2.2.2]octan-3-yl)-6-[3-(dimethylamino)pyrrolidin-1-yl]-1,2-benzothiazole-3-carboxamide Openeye Name: 6-[3-(dimethylamino)pyrrolidin-1-yl]-N-quinuclidin-3-yl-1,2-benzothiazole-3-carboxamide CAS Name: N-(1-azabicyclo[2.2.2]octan-3-yl)-6-[3-(dimethylamino)-1-pyrrolidinyl]-1,2-benzothiazole-3-carboxamide IUPAC Name: N-(1-azabicyclo[2.2.2]octan-3-yl)-6-[3-(dimethylamino)pyrrolidin-1-yl]-1,2-benzothiazole-3-carboxamide Traditional Name: 6-[3-(dimethylamino)pyrrolidino]-N-quinuclidin-3-yl-1,2-benzothiazole-3-carboxamide Formula: C21H29N5OS MolecularWeight: 399.55286

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1CCN(C1)C2=CC3=C(C=C2)C(=NS3)C(=O)NC4CN5CCC4CC5

Isomeric SMILES

CN(C)C1CCN(C1)C2=CC3=C(C=C2)C(=NS3)C(=O)NC4CN5CCC4CC5

InChI

InChI=1S/C21H29N5OS/c1-24(2)16-7-10-26(12-16)15-3-4-17-19(11-15)28-23-20(17)21(27)22-18-13-25-8-5-14(18)6-9-25/h3-4,11,14,16,18H,5-10,12-13H2,1-2H3,(H,22,27)