2-(1-adamantyl)-N-(1-azoniabicyclo[2.2.2]octan-4-ylcarbamothioyl)ethanamide

Systemtic Name: 2-(1-adamantyl)-N-(1-azoniabicyclo[2.2.2]octan-4-ylcarbamothioyl)ethanamide Openeye Name: 2-(1-adamantyl)-N-(quinuclidin-1-ium-4-ylcarbamothioyl)acetamide CAS Name: 2-(1-adamantyl)-N-[(1-azoniabicyclo[2.2.2]octan-4-ylamino)-sulfanylidenemethyl]acetamide IUPAC Name: 2-(1-adamantyl)-N-(1-azoniabicyclo[2.2.2]octan-4-ylcarbamothioyl)acetamide Traditional Name: 2-(1-adamantyl)-N-(quinuclidin-1-ium-4-ylthiocarbamoyl)acetamide Formula: C20H32N3OS+ MolecularWeight: 362.55258

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+]2CCC1(CC2)NC(=S)NC(=O)CC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

C1C[NH+]2CCC1(CC2)NC(=S)NC(=O)CC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C20H31N3OS/c24-17(13-19-10-14-7-15(11-19)9-16(8-14)12-19)21-18(25)22-20-1-4-23(5-2-20)6-3-20/h14-16H,1-13H2,(H2,21,22,24,25)/p+1