(E)-N-(1-azabicyclo[2.2.2]octan-3-yl)-3-pyridin-4-ylsulfanyl-prop-2-enamide

Systemtic Name: (E)-N-(1-azabicyclo[2.2.2]octan-3-yl)-3-pyridin-4-ylsulfanyl-prop-2-enamide Openeye Name: (E)-3-(4-pyridylsulfanyl)-N-quinuclidin-3-yl-prop-2-enamide CAS Name: (E)-N-(1-azabicyclo[2.2.2]octan-3-yl)-3-(pyridin-4-ylthio)-2-propenamide IUPAC Name: (E)-N-(1-azabicyclo[2.2.2]octan-3-yl)-3-pyridin-4-ylsulfanylprop-2-enamide Traditional Name: (E)-3-(4-pyridylthio)-N-quinuclidin-3-yl-acrylamide Formula: C15H19N3OS MolecularWeight: 289.39586

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN2CCC1C(C2)NC(=O)C=CSC3=CC=NC=C3

Isomeric SMILES

C1CN2CCC1C(C2)NC(=O)/C=C/SC3=CC=NC=C3

InChI

InChI=1S/C15H19N3OS/c19-15(5-10-20-13-1-6-16-7-2-13)17-14-11-18-8-3-12(14)4-9-18/h1-2,5-7,10,12,14H,3-4,8-9,11H2,(H,17,19)/b10-5+