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

Systemtic Name: 3-[[4-(4-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-5-phenyl-1,2-oxazole Openeye Name: 3-[[4-(4-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-5-phenyl-isoxazole CAS Name: 3-[[4-(4-fluorophenyl)sulfonyl-1-piperazin-1-iumyl]methyl]-5-phenylisoxazole IUPAC Name: 3-[[4-(4-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-5-phenyl-1,2-oxazole Traditional Name: 3-[[4-(4-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-5-phenyl-isoxazole Formula: C20H21FN3O3S+ MolecularWeight: 402.462443

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20FN3O3S/c21-17-6-8-19(9-7-17)28(25,26)24-12-10-23(11-13-24)15-18-14-20(27-22-18)16-4-2-1-3-5-16/h1-9,14H,10-13,15H2/p+1