N-(2-fluoranyl-5-methyl-phenyl)piperazin-4-ium-1-sulfonamide

Systemtic Name: N-(2-fluoranyl-5-methyl-phenyl)piperazin-4-ium-1-sulfonamide Openeye Name: N-(2-fluoro-5-methyl-phenyl)piperazin-4-ium-1-sulfonamide CAS Name: N-(2-fluoro-5-methylphenyl)-1-piperazin-4-iumsulfonamide IUPAC Name: N-(2-fluoro-5-methylphenyl)piperazin-4-ium-1-sulfonamide Traditional Name: N-(2-fluoro-5-methyl-phenyl)piperazin-4-ium-1-sulfonamide Formula: C11H17FN3O2S+ MolecularWeight: 274.334983

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)F)NS(=O)(=O)N2CC[NH2+]CC2

Isomeric SMILES

CC1=CC(=C(C=C1)F)NS(=O)(=O)N2CC[NH2+]CC2

InChI

InChI=1S/C11H16FN3O2S/c1-9-2-3-10(12)11(8-9)14-18(16,17)15-6-4-13-5-7-15/h2-3,8,13-14H,4-7H2,1H3/p+1