6-[[(3R)-1-azoniabicyclo[2.2.2]octan-3-yl]amino]pyridine-3-carbothioamide

Systemtic Name: 6-[[(3R)-1-azoniabicyclo[2.2.2]octan-3-yl]amino]pyridine-3-carbothioamide Openeye Name: 6-[[(3R)-quinuclidin-1-ium-3-yl]amino]pyridine-3-carbothioamide CAS Name: 6-[[(3R)-1-azoniabicyclo[2.2.2]octan-3-yl]amino]-3-pyridinecarbothioamide IUPAC Name: 6-[[(3R)-1-azoniabicyclo[2.2.2]octan-3-yl]amino]pyridine-3-carbothioamide Traditional Name: 6-[[(3R)-quinuclidin-1-ium-3-yl]amino]thionicotinamide Formula: C13H19N4S+ MolecularWeight: 263.38176

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+]2CCC1C(C2)NC3=NC=C(C=C3)C(=S)N

Isomeric SMILES

C1C[NH+]2CCC1[C@H](C2)NC3=NC=C(C=C3)C(=S)N

InChI

InChI=1S/C13H18N4S/c14-13(18)10-1-2-12(15-7-10)16-11-8-17-5-3-9(11)4-6-17/h1-2,7,9,11H,3-6,8H2,(H2,14,18)(H,15,16)/p+1/t11-/m0/s1