4-fluoranyl-N-[[4-phenyl-5-(2-piperidin-1-ium-1-ylethylsulfanyl)-1,2,4-triazol-3-yl]methyl]aniline

Systemtic Name: 4-fluoranyl-N-[[4-phenyl-5-(2-piperidin-1-ium-1-ylethylsulfanyl)-1,2,4-triazol-3-yl]methyl]aniline Openeye Name: 4-fluoro-N-[[4-phenyl-5-(2-piperidin-1-ium-1-ylethylsulfanyl)-1,2,4-triazol-3-yl]methyl]aniline CAS Name: 4-fluoro-N-[[4-phenyl-5-[2-(1-piperidin-1-iumyl)ethylthio]-1,2,4-triazol-3-yl]methyl]aniline IUPAC Name: 4-fluoro-N-[[4-phenyl-5-(2-piperidin-1-ium-1-ylethylsulfanyl)-1,2,4-triazol-3-yl]methyl]aniline Traditional Name: (4-fluorophenyl)-[[4-phenyl-5-(2-piperidin-1-ium-1-ylethylthio)-1,2,4-triazol-3-yl]methyl]amine Formula: C22H27FN5S+ MolecularWeight: 412.546683

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CCSC2=NN=C(N2C3=CC=CC=C3)CNC4=CC=C(C=C4)F

Isomeric SMILES

C1CC[NH+](CC1)CCSC2=NN=C(N2C3=CC=CC=C3)CNC4=CC=C(C=C4)F

InChI

InChI=1S/C22H26FN5S/c23-18-9-11-19(12-10-18)24-17-21-25-26-22(28(21)20-7-3-1-4-8-20)29-16-15-27-13-5-2-6-14-27/h1,3-4,7-12,24H,2,5-6,13-17H2/p+1