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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18BrN3O2S/c1-11-9-13(3-4-14(11)15)21(19,20)18-7-5-17(6-8-18)12(2)10-16/h3-4,9,12H,5-8H2,1-2H3/p+1/t12-/m1/s1