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

Systemtic Name: N-[[4-ethyl-5-(2-morpholin-4-ium-4-ylethylsulfanyl)-1,2,4-triazol-3-yl]methyl]-4-fluoranyl-aniline Openeye Name: N-[[4-ethyl-5-(2-morpholin-4-ium-4-ylethylsulfanyl)-1,2,4-triazol-3-yl]methyl]-4-fluoro-aniline CAS Name: N-[[4-ethyl-5-[2-(4-morpholin-4-iumyl)ethylthio]-1,2,4-triazol-3-yl]methyl]-4-fluoroaniline IUPAC Name: N-[[4-ethyl-5-(2-morpholin-4-ium-4-ylethylsulfanyl)-1,2,4-triazol-3-yl]methyl]-4-fluoroaniline Traditional Name: [4-ethyl-5-(2-morpholin-4-ium-4-ylethylthio)-1,2,4-triazol-3-yl]methyl-(4-fluorophenyl)amine Formula: C17H25FN5OS+ MolecularWeight: 366.476703

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC[NH+]2CCOCC2)CNC3=CC=C(C=C3)F

Isomeric SMILES

CCN1C(=NN=C1SCC[NH+]2CCOCC2)CNC3=CC=C(C=C3)F

InChI

InChI=1S/C17H24FN5OS/c1-2-23-16(13-19-15-5-3-14(18)4-6-15)20-21-17(23)25-12-9-22-7-10-24-11-8-22/h3-6,19H,2,7-13H2,1H3/p+1