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

Systemtic Name: N-[[4-ethyl-5-(2-piperidin-1-ium-1-ylethylsulfanyl)-1,2,4-triazol-3-yl]methyl]-4-fluoranyl-aniline Openeye Name: N-[[4-ethyl-5-(2-piperidin-1-ium-1-ylethylsulfanyl)-1,2,4-triazol-3-yl]methyl]-4-fluoro-aniline CAS Name: N-[[4-ethyl-5-[2-(1-piperidin-1-iumyl)ethylthio]-1,2,4-triazol-3-yl]methyl]-4-fluoroaniline IUPAC Name: N-[[4-ethyl-5-(2-piperidin-1-ium-1-ylethylsulfanyl)-1,2,4-triazol-3-yl]methyl]-4-fluoroaniline Traditional Name: [4-ethyl-5-(2-piperidin-1-ium-1-ylethylthio)-1,2,4-triazol-3-yl]methyl-(4-fluorophenyl)amine Formula: C18H27FN5S+ MolecularWeight: 364.503883

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC[NH+]2CCCCC2)CNC3=CC=C(C=C3)F

Isomeric SMILES

CCN1C(=NN=C1SCC[NH+]2CCCCC2)CNC3=CC=C(C=C3)F

InChI

InChI=1S/C18H26FN5S/c1-2-24-17(14-20-16-8-6-15(19)7-9-16)21-22-18(24)25-13-12-23-10-4-3-5-11-23/h6-9,20H,2-5,10-14H2,1H3/p+1