(2R)-2-(4-fluorophenyl)-2-[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]ethanenitrile

Systemtic Name: (2R)-2-(4-fluorophenyl)-2-[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]ethanenitrile Openeye Name: (2R)-2-(4-fluorophenyl)-2-[4-(p-tolylsulfonyl)piperazin-1-ium-1-yl]acetonitrile CAS Name: (2R)-2-(4-fluorophenyl)-2-[4-(4-methylphenyl)sulfonyl-1-piperazin-1-iumyl]acetonitrile IUPAC Name: (2R)-2-(4-fluorophenyl)-2-[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]acetonitrile Traditional Name: (2R)-2-(4-fluorophenyl)-2-(4-tosylpiperazin-1-ium-1-yl)acetonitrile Formula: C19H21FN3O2S+ MolecularWeight: 374.452343

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)C(C#N)C3=CC=C(C=C3)F

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)[C@@H](C#N)C3=CC=C(C=C3)F

InChI

InChI=1S/C19H20FN3O2S/c1-15-2-8-18(9-3-15)26(24,25)23-12-10-22(11-13-23)19(14-21)16-4-6-17(20)7-5-16/h2-9,19H,10-13H2,1H3/p+1/t19-/m0/s1