2-[bis(fluoranyl)methylsulfanyl]-N-[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]pyridine-3-carboxamide

Systemtic Name: 2-[bis(fluoranyl)methylsulfanyl]-N-[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]pyridine-3-carboxamide Openeye Name: 2-(difluoromethylsulfanyl)-N-[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]pyridine-3-carboxamide CAS Name: 2-(difluoromethylthio)-N-[4-(4-ethyl-1-piperazin-4-iumyl)phenyl]-3-pyridinecarboxamide IUPAC Name: 2-(difluoromethylsulfanyl)-N-[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]pyridine-3-carboxamide Traditional Name: 2-(difluoromethylthio)-N-[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]nicotinamide Formula: C19H23F2N4OS+ MolecularWeight: 393.473926

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=CC=C(C=C2)NC(=O)C3=C(N=CC=C3)SC(F)F

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=CC=C(C=C2)NC(=O)C3=C(N=CC=C3)SC(F)F

InChI

InChI=1S/C19H22F2N4OS/c1-2-24-10-12-25(13-11-24)15-7-5-14(6-8-15)23-17(26)16-4-3-9-22-18(16)27-19(20)21/h3-9,19H,2,10-13H2,1H3,(H,23,26)/p+1