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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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