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

Systemtic Name: 3-[[4-(4-chloranyl-2-fluoranyl-phenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-5-methyl-1,2-oxazole Openeye Name: 3-[[4-(4-chloro-2-fluoro-phenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-5-methyl-isoxazole CAS Name: 3-[[4-(4-chloro-2-fluorophenyl)sulfonyl-1-piperazin-1-iumyl]methyl]-5-methylisoxazole IUPAC Name: 3-[[4-(4-chloro-2-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-5-methyl-1,2-oxazole Traditional Name: 3-[[4-(4-chloro-2-fluoro-phenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-5-methyl-isoxazole Formula: C15H18ClFN3O3S+ MolecularWeight: 374.838123

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)C[NH+]2CCN(CC2)S(=O)(=O)C3=C(C=C(C=C3)Cl)F

Isomeric SMILES

CC1=CC(=NO1)C[NH+]2CCN(CC2)S(=O)(=O)C3=C(C=C(C=C3)Cl)F

InChI

InChI=1S/C15H17ClFN3O3S/c1-11-8-13(18-23-11)10-19-4-6-20(7-5-19)24(21,22)15-3-2-12(16)9-14(15)17/h2-3,8-9H,4-7,10H2,1H3/p+1