(2R)-3-[4-(5-bromanylthiophen-2-yl)sulfonylpiperazin-1-ium-1-yl]-2-methyl-propanenitrile

Systemtic Name: (2R)-3-[4-(5-bromanylthiophen-2-yl)sulfonylpiperazin-1-ium-1-yl]-2-methyl-propanenitrile Openeye Name: (2R)-3-[4-[(5-bromo-2-thienyl)sulfonyl]piperazin-1-ium-1-yl]-2-methyl-propanenitrile CAS Name: (2R)-3-[4-[(5-bromo-2-thiophenyl)sulfonyl]-1-piperazin-1-iumyl]-2-methylpropanenitrile IUPAC Name: (2R)-3-[4-(5-bromothiophen-2-yl)sulfonylpiperazin-1-ium-1-yl]-2-methylpropanenitrile Traditional Name: (2R)-3-[4-[(5-bromo-2-thienyl)sulfonyl]piperazin-1-ium-1-yl]-2-methyl-propionitrile Formula: C12H17BrN3O2S2+ MolecularWeight: 379.31628

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Descriptors Computed from Structure

Canonical SMILES:

CC(C[NH+]1CCN(CC1)S(=O)(=O)C2=CC=C(S2)Br)C#N

Isomeric SMILES

C[C@H](C[NH+]1CCN(CC1)S(=O)(=O)C2=CC=C(S2)Br)C#N

InChI

InChI=1S/C12H16BrN3O2S2/c1-10(8-14)9-15-4-6-16(7-5-15)20(17,18)12-3-2-11(13)19-12/h2-3,10H,4-7,9H2,1H3/p+1/t10-/m0/s1