3-[[(3S)-1-azoniabicyclo[2.2.2]octan-3-yl]sulfamoyl]benzenecarbothioamide

Systemtic Name: 3-[[(3S)-1-azoniabicyclo[2.2.2]octan-3-yl]sulfamoyl]benzenecarbothioamide Openeye Name: 3-[[(3S)-quinuclidin-1-ium-3-yl]sulfamoyl]benzenecarbothioamide CAS Name: 3-[[(3S)-1-azoniabicyclo[2.2.2]octan-3-yl]sulfamoyl]benzenecarbothioamide IUPAC Name: 3-[[(3S)-1-azoniabicyclo[2.2.2]octan-3-yl]sulfamoyl]benzenecarbothioamide Traditional Name: 3-[[(3S)-quinuclidin-1-ium-3-yl]sulfamoyl]thiobenzamide Formula: C14H20N3O2S2+ MolecularWeight: 326.4575

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H19N3O2S2/c15-14(20)11-2-1-3-12(8-11)21(18,19)16-13-9-17-6-4-10(13)5-7-17/h1-3,8,10,13,16H,4-7,9H2,(H2,15,20)/p+1/t13-/m1/s1