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

Systemtic Name: 1-[(3-chloranyl-4-fluoranyl-phenyl)carbamothioyl]-4-piperidin-1-ium-1-yl-piperidine-4-carboxamide Openeye Name: 1-[(3-chloro-4-fluoro-phenyl)carbamothioyl]-4-piperidin-1-ium-1-yl-piperidine-4-carboxamide CAS Name: 1-[(3-chloro-4-fluoroanilino)-sulfanylidenemethyl]-4-(1-piperidin-1-iumyl)-4-piperidinecarboxamide IUPAC Name: 1-[(3-chloro-4-fluorophenyl)carbamothioyl]-4-piperidin-1-ium-1-ylpiperidine-4-carboxamide Traditional Name: 1-[(3-chloro-4-fluoro-phenyl)thiocarbamoyl]-4-piperidin-1-ium-1-yl-isonipecotamide Formula: C18H25ClFN4OS+ MolecularWeight: 399.933703

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H24ClFN4OS/c19-14-12-13(4-5-15(14)20)22-17(26)23-10-6-18(7-11-23,16(21)25)24-8-2-1-3-9-24/h4-5,12H,1-3,6-11H2,(H2,21,25)(H,22,26)/p+1