2-[4-(3-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]-N-methyl-N-propan-2-yl-ethanamide

Systemtic Name: 2-[4-(3-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]-N-methyl-N-propan-2-yl-ethanamide Openeye Name: 2-[4-(3-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]-N-isopropyl-N-methyl-acetamide CAS Name: 2-[4-(3-fluorophenyl)sulfonyl-1-piperazin-1-iumyl]-N-methyl-N-propan-2-ylacetamide IUPAC Name: 2-[4-(3-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]-N-methyl-N-propan-2-ylacetamide Traditional Name: 2-[4-(3-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]-N-isopropyl-N-methyl-acetamide Formula: C16H25FN3O3S+ MolecularWeight: 358.451403

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(C)C(=O)C[NH+]1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)F

Isomeric SMILES

CC(C)N(C)C(=O)C[NH+]1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)F

InChI

InChI=1S/C16H24FN3O3S/c1-13(2)18(3)16(21)12-19-7-9-20(10-8-19)24(22,23)15-6-4-5-14(17)11-15/h4-6,11,13H,7-10,12H2,1-3H3/p+1