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

Systemtic Name: N-(2-cyanopropan-2-yl)-2-[4-(3-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]-N-methyl-ethanamide Openeye Name: N-(1-cyano-1-methyl-ethyl)-2-[4-(3-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]-N-methyl-acetamide CAS Name: N-(2-cyanopropan-2-yl)-2-[4-(3-fluorophenyl)sulfonyl-1-piperazin-1-iumyl]-N-methylacetamide IUPAC Name: N-(2-cyanopropan-2-yl)-2-[4-(3-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]-N-methylacetamide Traditional Name: N-(1-cyano-1-methyl-ethyl)-2-[4-(3-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]-N-methyl-acetamide Formula: C17H24FN4O3S+ MolecularWeight: 383.460863

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H23FN4O3S/c1-17(2,13-19)20(3)16(23)12-21-7-9-22(10-8-21)26(24,25)15-6-4-5-14(18)11-15/h4-6,11H,7-10,12H2,1-3H3/p+1