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

Systemtic Name: 3-[4-(4-chlorophenyl)-5-(2-piperidin-1-ium-1-ylethylsulfanyl)-1,2,4-triazol-3-yl]pyridine Openeye Name: 3-[4-(4-chlorophenyl)-5-(2-piperidin-1-ium-1-ylethylsulfanyl)-1,2,4-triazol-3-yl]pyridine CAS Name: 3-[4-(4-chlorophenyl)-5-[2-(1-piperidin-1-iumyl)ethylthio]-1,2,4-triazol-3-yl]pyridine IUPAC Name: 3-[4-(4-chlorophenyl)-5-(2-piperidin-1-ium-1-ylethylsulfanyl)-1,2,4-triazol-3-yl]pyridine Traditional Name: 3-[4-(4-chlorophenyl)-5-(2-piperidin-1-ium-1-ylethylthio)-1,2,4-triazol-3-yl]pyridine Formula: C20H23ClN5S+ MolecularWeight: 400.94812

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22ClN5S/c21-17-6-8-18(9-7-17)26-19(16-5-4-10-22-15-16)23-24-20(26)27-14-13-25-11-2-1-3-12-25/h4-10,15H,1-3,11-14H2/p+1