1-[[3,5-bis(fluoranyl)phenyl]carbamothioyl]-4-piperidin-1-ium-1-yl-piperidine-4-carboxamide

Systemtic Name: 1-[[3,5-bis(fluoranyl)phenyl]carbamothioyl]-4-piperidin-1-ium-1-yl-piperidine-4-carboxamide Openeye Name: 1-[(3,5-difluorophenyl)carbamothioyl]-4-piperidin-1-ium-1-yl-piperidine-4-carboxamide CAS Name: 1-[(3,5-difluoroanilino)-sulfanylidenemethyl]-4-(1-piperidin-1-iumyl)-4-piperidinecarboxamide IUPAC Name: 1-[(3,5-difluorophenyl)carbamothioyl]-4-piperidin-1-ium-1-ylpiperidine-4-carboxamide Traditional Name: 1-[(3,5-difluorophenyl)thiocarbamoyl]-4-piperidin-1-ium-1-yl-isonipecotamide Formula: C18H25F2N4OS+ MolecularWeight: 383.479106

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H24F2N4OS/c19-13-10-14(20)12-15(11-13)22-17(26)23-8-4-18(5-9-23,16(21)25)24-6-2-1-3-7-24/h10-12H,1-9H2,(H2,21,25)(H,22,26)/p+1