3-[[4-(2-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-5-(furan-2-yl)-1,2-oxazole

Systemtic Name: 3-[[4-(2-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-5-(furan-2-yl)-1,2-oxazole Openeye Name: 3-[[4-(2-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-5-(2-furyl)isoxazole CAS Name: 3-[[4-(2-fluorophenyl)sulfonyl-1-piperazin-1-iumyl]methyl]-5-(2-furanyl)isoxazole IUPAC Name: 3-[[4-(2-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-5-(furan-2-yl)-1,2-oxazole Traditional Name: 3-[[4-(2-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-5-(2-furyl)isoxazole Formula: C18H19FN3O4S+ MolecularWeight: 392.424563

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=NOC(=C2)C3=CC=CO3)S(=O)(=O)C4=CC=CC=C4F

Isomeric SMILES

C1CN(CC[NH+]1CC2=NOC(=C2)C3=CC=CO3)S(=O)(=O)C4=CC=CC=C4F

InChI

InChI=1S/C18H18FN3O4S/c19-15-4-1-2-6-18(15)27(23,24)22-9-7-21(8-10-22)13-14-12-17(26-20-14)16-5-3-11-25-16/h1-6,11-12H,7-10,13H2/p+1