(2R)-2-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-ium-1-yl]propanenitrile

Systemtic Name: (2R)-2-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-ium-1-yl]propanenitrile Openeye Name: (2R)-2-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-ium-1-yl]propanenitrile CAS Name: (2R)-2-[4-(3,4-dichlorophenyl)sulfonyl-1-piperazin-1-iumyl]propanenitrile IUPAC Name: (2R)-2-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-ium-1-yl]propanenitrile Traditional Name: (2R)-2-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-ium-1-yl]propionitrile Formula: C13H16Cl2N3O2S+ MolecularWeight: 349.25604

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15Cl2N3O2S/c1-10(9-16)17-4-6-18(7-5-17)21(19,20)11-2-3-12(14)13(15)8-11/h2-3,8,10H,4-7H2,1H3/p+1/t10-/m1/s1