1-[[5-[(4-chlorophenyl)methylsulfanyl]-4-phenyl-1,2,4-triazol-3-yl]methyl]piperidin-1-ium

Systemtic Name: 1-[[5-[(4-chlorophenyl)methylsulfanyl]-4-phenyl-1,2,4-triazol-3-yl]methyl]piperidin-1-ium Openeye Name: 1-[[5-[(4-chlorophenyl)methylsulfanyl]-4-phenyl-1,2,4-triazol-3-yl]methyl]piperidin-1-ium CAS Name: 1-[[5-[(4-chlorophenyl)methylthio]-4-phenyl-1,2,4-triazol-3-yl]methyl]piperidin-1-ium IUPAC Name: 1-[[5-[(4-chlorophenyl)methylsulfanyl]-4-phenyl-1,2,4-triazol-3-yl]methyl]piperidin-1-ium Traditional Name: 1-[[5-[(4-chlorobenzyl)thio]-4-phenyl-1,2,4-triazol-3-yl]methyl]piperidin-1-ium Formula: C21H24ClN4S+ MolecularWeight: 399.96006

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC2=NN=C(N2C3=CC=CC=C3)SCC4=CC=C(C=C4)Cl

Isomeric SMILES

C1CC[NH+](CC1)CC2=NN=C(N2C3=CC=CC=C3)SCC4=CC=C(C=C4)Cl

InChI

InChI=1S/C21H23ClN4S/c22-18-11-9-17(10-12-18)16-27-21-24-23-20(15-25-13-5-2-6-14-25)26(21)19-7-3-1-4-8-19/h1,3-4,7-12H,2,5-6,13-16H2/p+1