(2R)-3-[4-(2-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]-2-methyl-propanenitrile

Systemtic Name: (2R)-3-[4-(2-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]-2-methyl-propanenitrile Openeye Name: (2R)-3-[4-(2-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]-2-methyl-propanenitrile CAS Name: (2R)-3-[4-(2-fluorophenyl)sulfonyl-1-piperazin-1-iumyl]-2-methylpropanenitrile IUPAC Name: (2R)-3-[4-(2-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]-2-methylpropanenitrile Traditional Name: (2R)-3-[4-(2-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]-2-methyl-propionitrile Formula: C14H19FN3O2S+ MolecularWeight: 312.382963

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Descriptors Computed from Structure

Canonical SMILES:

CC(C[NH+]1CCN(CC1)S(=O)(=O)C2=CC=CC=C2F)C#N

Isomeric SMILES

C[C@H](C[NH+]1CCN(CC1)S(=O)(=O)C2=CC=CC=C2F)C#N

InChI

InChI=1S/C14H18FN3O2S/c1-12(10-16)11-17-6-8-18(9-7-17)21(19,20)14-5-3-2-4-13(14)15/h2-5,12H,6-9,11H2,1H3/p+1/t12-/m0/s1