N,N-diethyl-4-[[3-(3-fluoranyl-4-methyl-phenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-4-ium-1-sulfonamide

Systemtic Name: N,N-diethyl-4-[[3-(3-fluoranyl-4-methyl-phenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-4-ium-1-sulfonamide Openeye Name: N,N-diethyl-4-[[3-(3-fluoro-4-methyl-phenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-4-ium-1-sulfonamide CAS Name: N,N-diethyl-4-[[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-piperazin-4-iumsulfonamide IUPAC Name: N,N-diethyl-4-[[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-4-ium-1-sulfonamide Traditional Name: N,N-diethyl-4-[[3-(3-fluoro-4-methyl-phenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-4-ium-1-sulfonamide Formula: C18H27FN5O3S+ MolecularWeight: 412.502083

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)N1CC[NH+](CC1)CC2=NC(=NO2)C3=CC(=C(C=C3)C)F

Isomeric SMILES

CCN(CC)S(=O)(=O)N1CC[NH+](CC1)CC2=NC(=NO2)C3=CC(=C(C=C3)C)F

InChI

InChI=1S/C18H26FN5O3S/c1-4-23(5-2)28(25,26)24-10-8-22(9-11-24)13-17-20-18(21-27-17)15-7-6-14(3)16(19)12-15/h6-7,12H,4-5,8-11,13H2,1-3H3/p+1