3-[4-[2,6-bis(chloranyl)phenyl]sulfonylpiperazin-1-ium-1-yl]propanenitrile

Systemtic Name: 3-[4-[2,6-bis(chloranyl)phenyl]sulfonylpiperazin-1-ium-1-yl]propanenitrile Openeye Name: 3-[4-(2,6-dichlorophenyl)sulfonylpiperazin-1-ium-1-yl]propanenitrile CAS Name: 3-[4-(2,6-dichlorophenyl)sulfonyl-1-piperazin-1-iumyl]propanenitrile IUPAC Name: 3-[4-(2,6-dichlorophenyl)sulfonylpiperazin-1-ium-1-yl]propanenitrile Traditional Name: 3-[4-(2,6-dichlorophenyl)sulfonylpiperazin-1-ium-1-yl]propionitrile Formula: C13H16Cl2N3O2S+ MolecularWeight: 349.25604

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCC#N)S(=O)(=O)C2=C(C=CC=C2Cl)Cl

Isomeric SMILES

C1CN(CC[NH+]1CCC#N)S(=O)(=O)C2=C(C=CC=C2Cl)Cl

InChI

InChI=1S/C13H15Cl2N3O2S/c14-11-3-1-4-12(15)13(11)21(19,20)18-9-7-17(8-10-18)6-2-5-16/h1,3-4H,2,6-10H2/p+1