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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)S(=O)(=O)N2CC[NH+](CC2)CC3=CC=CC=C3F

Isomeric SMILES

CC1=C(C(=NO1)C)S(=O)(=O)N2CC[NH+](CC2)CC3=CC=CC=C3F

InChI

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