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

Systemtic Name: 4-[[4-(3-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-3,5-dimethyl-1,2-oxazole Openeye Name: 4-[[4-(3-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-3,5-dimethyl-isoxazole CAS Name: 4-[[4-(3-fluorophenyl)sulfonyl-1-piperazin-1-iumyl]methyl]-3,5-dimethylisoxazole IUPAC Name: 4-[[4-(3-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-3,5-dimethyl-1,2-oxazole Traditional Name: 4-[[4-(3-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-3,5-dimethyl-isoxazole Formula: C16H21FN3O3S+ MolecularWeight: 354.419643

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H20FN3O3S/c1-12-16(13(2)23-18-12)11-19-6-8-20(9-7-19)24(21,22)15-5-3-4-14(17)10-15/h3-5,10H,6-9,11H2,1-2H3/p+1