4-(4-fluorophenyl)-2-(2-piperidin-1-ium-1-ylethylsulfanyl)-6-thiophen-2-yl-pyridine-3-carbonitrile

Systemtic Name: 4-(4-fluorophenyl)-2-(2-piperidin-1-ium-1-ylethylsulfanyl)-6-thiophen-2-yl-pyridine-3-carbonitrile Openeye Name: 4-(4-fluorophenyl)-2-(2-piperidin-1-ium-1-ylethylsulfanyl)-6-(2-thienyl)pyridine-3-carbonitrile CAS Name: 4-(4-fluorophenyl)-2-[2-(1-piperidin-1-iumyl)ethylthio]-6-thiophen-2-yl-3-pyridinecarbonitrile IUPAC Name: 4-(4-fluorophenyl)-2-(2-piperidin-1-ium-1-ylethylsulfanyl)-6-thiophen-2-ylpyridine-3-carbonitrile Traditional Name: 4-(4-fluorophenyl)-2-(2-piperidin-1-ium-1-ylethylthio)-6-(2-thienyl)nicotinonitrile Formula: C23H23FN3S2+ MolecularWeight: 424.577223

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CCSC2=C(C(=CC(=N2)C3=CC=CS3)C4=CC=C(C=C4)F)C#N

Isomeric SMILES

C1CC[NH+](CC1)CCSC2=C(C(=CC(=N2)C3=CC=CS3)C4=CC=C(C=C4)F)C#N

InChI

InChI=1S/C23H22FN3S2/c24-18-8-6-17(7-9-18)19-15-21(22-5-4-13-28-22)26-23(20(19)16-25)29-14-12-27-10-2-1-3-11-27/h4-9,13,15H,1-3,10-12,14H2/p+1