4-[4-(4-fluorophenyl)-5-(2-piperidin-1-ium-1-ylethylsulfanyl)-1,2,4-triazol-3-yl]pyridine

Systemtic Name: 4-[4-(4-fluorophenyl)-5-(2-piperidin-1-ium-1-ylethylsulfanyl)-1,2,4-triazol-3-yl]pyridine Openeye Name: 4-[4-(4-fluorophenyl)-5-(2-piperidin-1-ium-1-ylethylsulfanyl)-1,2,4-triazol-3-yl]pyridine CAS Name: 4-[4-(4-fluorophenyl)-5-[2-(1-piperidin-1-iumyl)ethylthio]-1,2,4-triazol-3-yl]pyridine IUPAC Name: 4-[4-(4-fluorophenyl)-5-(2-piperidin-1-ium-1-ylethylsulfanyl)-1,2,4-triazol-3-yl]pyridine Traditional Name: 4-[4-(4-fluorophenyl)-5-(2-piperidin-1-ium-1-ylethylthio)-1,2,4-triazol-3-yl]pyridine Formula: C20H23FN5S+ MolecularWeight: 384.493523

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CCSC2=NN=C(N2C3=CC=C(C=C3)F)C4=CC=NC=C4

Isomeric SMILES

C1CC[NH+](CC1)CCSC2=NN=C(N2C3=CC=C(C=C3)F)C4=CC=NC=C4

InChI

InChI=1S/C20H22FN5S/c21-17-4-6-18(7-5-17)26-19(16-8-10-22-11-9-16)23-24-20(26)27-15-14-25-12-2-1-3-13-25/h4-11H,1-3,12-15H2/p+1