2-[[(3R)-1-azoniabicyclo[2.2.2]octan-3-yl]amino]pyridine-4-carbothioamide

Systemtic Name: 2-[[(3R)-1-azoniabicyclo[2.2.2]octan-3-yl]amino]pyridine-4-carbothioamide Openeye Name: 2-[[(3R)-quinuclidin-1-ium-3-yl]amino]pyridine-4-carbothioamide CAS Name: 2-[[(3R)-1-azoniabicyclo[2.2.2]octan-3-yl]amino]-4-pyridinecarbothioamide IUPAC Name: 2-[[(3R)-1-azoniabicyclo[2.2.2]octan-3-yl]amino]pyridine-4-carbothioamide Traditional Name: 2-[[(3R)-quinuclidin-1-ium-3-yl]amino]thioisonicotinamide Formula: C13H19N4S+ MolecularWeight: 263.38176

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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