(2R)-2-[4-(3-bromophenyl)sulfonylpiperazin-1-ium-1-yl]-2-(4-fluorophenyl)ethanenitrile

Systemtic Name: (2R)-2-[4-(3-bromophenyl)sulfonylpiperazin-1-ium-1-yl]-2-(4-fluorophenyl)ethanenitrile Openeye Name: (2R)-2-[4-(3-bromophenyl)sulfonylpiperazin-1-ium-1-yl]-2-(4-fluorophenyl)acetonitrile CAS Name: (2R)-2-[4-(3-bromophenyl)sulfonyl-1-piperazin-1-iumyl]-2-(4-fluorophenyl)acetonitrile IUPAC Name: (2R)-2-[4-(3-bromophenyl)sulfonylpiperazin-1-ium-1-yl]-2-(4-fluorophenyl)acetonitrile Traditional Name: (2R)-2-[4-(3-bromophenyl)sulfonylpiperazin-1-ium-1-yl]-2-(4-fluorophenyl)acetonitrile Formula: C18H18BrFN3O2S+ MolecularWeight: 439.321823

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1C(C#N)C2=CC=C(C=C2)F)S(=O)(=O)C3=CC(=CC=C3)Br

Isomeric SMILES

C1CN(CC[NH+]1[C@@H](C#N)C2=CC=C(C=C2)F)S(=O)(=O)C3=CC(=CC=C3)Br

InChI

InChI=1S/C18H17BrFN3O2S/c19-15-2-1-3-17(12-15)26(24,25)23-10-8-22(9-11-23)18(13-21)14-4-6-16(20)7-5-14/h1-7,12,18H,8-11H2/p+1/t18-/m0/s1