1-methyl-N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)-5-(2-methylsulfanylphenyl)pyrrole-2-carboxamide

Systemtic Name: 1-methyl-N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)-5-(2-methylsulfanylphenyl)pyrrole-2-carboxamide Openeye Name: 1-methyl-N-(2-methylquinuclidin-3-yl)-5-(2-methylsulfanylphenyl)pyrrole-2-carboxamide CAS Name: 1-methyl-N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)-5-[2-(methylthio)phenyl]-2-pyrrolecarboxamide IUPAC Name: 1-methyl-N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)-5-(2-methylsulfanylphenyl)pyrrole-2-carboxamide Traditional Name: 1-methyl-N-(2-methylquinuclidin-3-yl)-5-[2-(methylthio)phenyl]pyrrole-2-carboxamide Formula: C21H27N3OS MolecularWeight: 369.52358

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C2CCN1CC2)NC(=O)C3=CC=C(N3C)C4=CC=CC=C4SC

Isomeric SMILES

CC1C(C2CCN1CC2)NC(=O)C3=CC=C(N3C)C4=CC=CC=C4SC

InChI

InChI=1S/C21H27N3OS/c1-14-20(15-10-12-24(14)13-11-15)22-21(25)18-9-8-17(23(18)2)16-6-4-5-7-19(16)26-3/h4-9,14-15,20H,10-13H2,1-3H3,(H,22,25)