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

Systemtic Name: (2R)-3-[4-(4-bromophenyl)sulfonylpiperazin-1-ium-1-yl]-2-methyl-propanenitrile Openeye Name: (2R)-3-[4-(4-bromophenyl)sulfonylpiperazin-1-ium-1-yl]-2-methyl-propanenitrile CAS Name: (2R)-3-[4-(4-bromophenyl)sulfonyl-1-piperazin-1-iumyl]-2-methylpropanenitrile IUPAC Name: (2R)-3-[4-(4-bromophenyl)sulfonylpiperazin-1-ium-1-yl]-2-methylpropanenitrile Traditional Name: (2R)-3-(4-brosylpiperazin-1-ium-1-yl)-2-methyl-propionitrile Formula: C14H19BrN3O2S+ MolecularWeight: 373.28856

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18BrN3O2S/c1-12(10-16)11-17-6-8-18(9-7-17)21(19,20)14-4-2-13(15)3-5-14/h2-5,12H,6-9,11H2,1H3/p+1/t12-/m0/s1