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

Systemtic Name: 4-(4-fluorophenyl)-6-phenyl-2-(2-piperidin-1-ium-1-ylethylsulfanyl)pyridine-3-carbonitrile Openeye Name: 4-(4-fluorophenyl)-6-phenyl-2-(2-piperidin-1-ium-1-ylethylsulfanyl)pyridine-3-carbonitrile CAS Name: 4-(4-fluorophenyl)-6-phenyl-2-[2-(1-piperidin-1-iumyl)ethylthio]-3-pyridinecarbonitrile IUPAC Name: 4-(4-fluorophenyl)-6-phenyl-2-(2-piperidin-1-ium-1-ylethylsulfanyl)pyridine-3-carbonitrile Traditional Name: 4-(4-fluorophenyl)-6-phenyl-2-(2-piperidin-1-ium-1-ylethylthio)nicotinonitrile Formula: C25H25FN3S+ MolecularWeight: 418.549503

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H24FN3S/c26-21-11-9-19(10-12-21)22-17-24(20-7-3-1-4-8-20)28-25(23(22)18-27)30-16-15-29-13-5-2-6-14-29/h1,3-4,7-12,17H,2,5-6,13-16H2/p+1