(E)-N-(1-azabicyclo[2.2.2]octan-3-yl)-3-phenylsulfanyl-but-2-enamide

Systemtic Name: (E)-N-(1-azabicyclo[2.2.2]octan-3-yl)-3-phenylsulfanyl-but-2-enamide Openeye Name: (E)-3-phenylsulfanyl-N-quinuclidin-3-yl-but-2-enamide CAS Name: (E)-N-(1-azabicyclo[2.2.2]octan-3-yl)-3-(phenylthio)-2-butenamide IUPAC Name: (E)-N-(1-azabicyclo[2.2.2]octan-3-yl)-3-phenylsulfanylbut-2-enamide Traditional Name: (E)-3-(phenylthio)-N-quinuclidin-3-yl-but-2-enamide Formula: C17H22N2OS MolecularWeight: 302.43438

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC(=O)NC1CN2CCC1CC2)SC3=CC=CC=C3

Isomeric SMILES

C/C(=C\C(=O)NC1CN2CCC1CC2)/SC3=CC=CC=C3

InChI

InChI=1S/C17H22N2OS/c1-13(21-15-5-3-2-4-6-15)11-17(20)18-16-12-19-9-7-14(16)8-10-19/h2-6,11,14,16H,7-10,12H2,1H3,(H,18,20)/b13-11+