[(1R)-1-[4-(4-fluorophenyl)-5-[2-(phenylcarbonyloxy)ethylsulfanyl]-1,2,4-triazol-3-yl]ethyl]-dimethyl-azanium

Systemtic Name: [(1R)-1-[4-(4-fluorophenyl)-5-[2-(phenylcarbonyloxy)ethylsulfanyl]-1,2,4-triazol-3-yl]ethyl]-dimethyl-azanium Openeye Name: [(1R)-1-[5-(2-benzoyloxyethylsulfanyl)-4-(4-fluorophenyl)-1,2,4-triazol-3-yl]ethyl]-dimethyl-ammonium CAS Name: [(1R)-1-[5-(2-benzoyloxyethylthio)-4-(4-fluorophenyl)-1,2,4-triazol-3-yl]ethyl]-dimethylammonium IUPAC Name: [(1R)-1-[5-(2-benzoyloxyethylsulfanyl)-4-(4-fluorophenyl)-1,2,4-triazol-3-yl]ethyl]-dimethylazanium Traditional Name: [(1R)-1-[5-(2-benzoyloxyethylthio)-4-(4-fluorophenyl)-1,2,4-triazol-3-yl]ethyl]-dimethyl-ammonium Formula: C21H24FN4O2S+ MolecularWeight: 415.504263

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NN=C(N1C2=CC=C(C=C2)F)SCCOC(=O)C3=CC=CC=C3)[NH+](C)C

Isomeric SMILES

C[C@H](C1=NN=C(N1C2=CC=C(C=C2)F)SCCOC(=O)C3=CC=CC=C3)[NH+](C)C

InChI

InChI=1S/C21H23FN4O2S/c1-15(25(2)3)19-23-24-21(26(19)18-11-9-17(22)10-12-18)29-14-13-28-20(27)16-7-5-4-6-8-16/h4-12,15H,13-14H2,1-3H3/p+1/t15-/m1/s1