N-(4-methylpiperazin-4-ium-1-yl)carbothioyladamantane-1-carboxamide

Systemtic Name: N-(4-methylpiperazin-4-ium-1-yl)carbothioyladamantane-1-carboxamide Openeye Name: N-(4-methylpiperazin-4-ium-1-carbothioyl)adamantane-1-carboxamide CAS Name: N-[(4-methyl-1-piperazin-4-iumyl)-sulfanylidenemethyl]-1-adamantanecarboxamide IUPAC Name: N-(4-methylpiperazin-4-ium-1-carbothioyl)adamantane-1-carboxamide Traditional Name: N-(4-methylpiperazin-4-ium-1-carbothioyl)adamantane-1-carboxamide Formula: C17H28N3OS+ MolecularWeight: 322.48872

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(=S)NC(=O)C23CC4CC(C2)CC(C4)C3

Isomeric SMILES

C[NH+]1CCN(CC1)C(=S)NC(=O)C23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C17H27N3OS/c1-19-2-4-20(5-3-19)16(22)18-15(21)17-9-12-6-13(10-17)8-14(7-12)11-17/h12-14H,2-11H2,1H3,(H,18,21,22)/p+1