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

Systemtic Name: 4-[[4-(4-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-2-thiophen-2-yl-1,3-oxazole Openeye Name: 4-[[4-(4-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-2-(2-thienyl)oxazole CAS Name: 4-[[4-(4-fluorophenyl)sulfonyl-1-piperazin-1-iumyl]methyl]-2-thiophen-2-yloxazole IUPAC Name: 4-[[4-(4-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-2-thiophen-2-yl-1,3-oxazole Traditional Name: 4-[[4-(4-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-2-(2-thienyl)oxazole Formula: C18H19FN3O3S2+ MolecularWeight: 408.490163

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=COC(=N2)C3=CC=CS3)S(=O)(=O)C4=CC=C(C=C4)F

Isomeric SMILES

C1CN(CC[NH+]1CC2=COC(=N2)C3=CC=CS3)S(=O)(=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C18H18FN3O3S2/c19-14-3-5-16(6-4-14)27(23,24)22-9-7-21(8-10-22)12-15-13-25-18(20-15)17-2-1-11-26-17/h1-6,11,13H,7-10,12H2/p+1