4-piperidin-1-ium-1-yl-1-[[3-(trifluoromethyl)phenyl]carbamothioyl]piperidine-4-carboxamide

Systemtic Name: 4-piperidin-1-ium-1-yl-1-[[3-(trifluoromethyl)phenyl]carbamothioyl]piperidine-4-carboxamide Openeye Name: 4-piperidin-1-ium-1-yl-1-[[3-(trifluoromethyl)phenyl]carbamothioyl]piperidine-4-carboxamide CAS Name: 4-(1-piperidin-1-iumyl)-1-[sulfanylidene-[3-(trifluoromethyl)anilino]methyl]-4-piperidinecarboxamide IUPAC Name: 4-piperidin-1-ium-1-yl-1-[[3-(trifluoromethyl)phenyl]carbamothioyl]piperidine-4-carboxamide Traditional Name: 4-piperidin-1-ium-1-yl-1-[[3-(trifluoromethyl)phenyl]thiocarbamoyl]isonipecotamide Formula: C19H26F3N4OS+ MolecularWeight: 415.49615

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)C2(CCN(CC2)C(=S)NC3=CC=CC(=C3)C(F)(F)F)C(=O)N

Isomeric SMILES

C1CC[NH+](CC1)C2(CCN(CC2)C(=S)NC3=CC=CC(=C3)C(F)(F)F)C(=O)N

InChI

InChI=1S/C19H25F3N4OS/c20-19(21,22)14-5-4-6-15(13-14)24-17(28)25-11-7-18(8-12-25,16(23)27)26-9-2-1-3-10-26/h4-6,13H,1-3,7-12H2,(H2,23,27)(H,24,28)/p+1