N-[methyl-(1-methylpiperidin-1-ium-4-yl)carbamothioyl]adamantane-1-carboxamide

Systemtic Name: N-[methyl-(1-methylpiperidin-1-ium-4-yl)carbamothioyl]adamantane-1-carboxamide Openeye Name: N-[methyl-(1-methylpiperidin-1-ium-4-yl)carbamothioyl]adamantane-1-carboxamide CAS Name: N-[[methyl-(1-methyl-4-piperidin-1-iumyl)amino]-sulfanylidenemethyl]-1-adamantanecarboxamide IUPAC Name: N-[methyl-(1-methylpiperidin-1-ium-4-yl)carbamothioyl]adamantane-1-carboxamide Traditional Name: N-[methyl-(1-methylpiperidin-1-ium-4-yl)thiocarbamoyl]adamantane-1-carboxamide Formula: C19H32N3OS+ MolecularWeight: 350.54188

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H31N3OS/c1-21-5-3-16(4-6-21)22(2)18(24)20-17(23)19-10-13-7-14(11-19)9-15(8-13)12-19/h13-16H,3-12H2,1-2H3,(H,20,23,24)/p+1