(2R)-3-[4-(3-chloranyl-4-fluoranyl-phenyl)sulfonylpiperazin-1-ium-1-yl]-2-methyl-propanenitrile

Systemtic Name: (2R)-3-[4-(3-chloranyl-4-fluoranyl-phenyl)sulfonylpiperazin-1-ium-1-yl]-2-methyl-propanenitrile Openeye Name: (2R)-3-[4-(3-chloro-4-fluoro-phenyl)sulfonylpiperazin-1-ium-1-yl]-2-methyl-propanenitrile CAS Name: (2R)-3-[4-(3-chloro-4-fluorophenyl)sulfonyl-1-piperazin-1-iumyl]-2-methylpropanenitrile IUPAC Name: (2R)-3-[4-(3-chloro-4-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]-2-methylpropanenitrile Traditional Name: (2R)-3-[4-(3-chloro-4-fluoro-phenyl)sulfonylpiperazin-1-ium-1-yl]-2-methyl-propionitrile Formula: C14H18ClFN3O2S+ MolecularWeight: 346.828023

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H17ClFN3O2S/c1-11(9-17)10-18-4-6-19(7-5-18)22(20,21)12-2-3-14(16)13(15)8-12/h2-3,8,11H,4-7,10H2,1H3/p+1/t11-/m0/s1