4-[[(3R)-1-azoniabicyclo[2.2.2]octan-3-yl]amino]benzenecarbothioamide

Systemtic Name: 4-[[(3R)-1-azoniabicyclo[2.2.2]octan-3-yl]amino]benzenecarbothioamide Openeye Name: 4-[[(3R)-quinuclidin-1-ium-3-yl]amino]benzenecarbothioamide CAS Name: 4-[[(3R)-1-azoniabicyclo[2.2.2]octan-3-yl]amino]benzenecarbothioamide IUPAC Name: 4-[[(3R)-1-azoniabicyclo[2.2.2]octan-3-yl]amino]benzenecarbothioamide Traditional Name: 4-[[(3R)-quinuclidin-1-ium-3-yl]amino]thiobenzamide Formula: C14H20N3S+ MolecularWeight: 262.3937

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H19N3S/c15-14(18)11-1-3-12(4-2-11)16-13-9-17-7-5-10(13)6-8-17/h1-4,10,13,16H,5-9H2,(H2,15,18)/p+1/t13-/m0/s1