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

Systemtic Name: 3-[4-(4-bromanyl-2-chloranyl-phenyl)sulfonylpiperazin-1-ium-1-yl]propanenitrile Openeye Name: 3-[4-(4-bromo-2-chloro-phenyl)sulfonylpiperazin-1-ium-1-yl]propanenitrile CAS Name: 3-[4-(4-bromo-2-chlorophenyl)sulfonyl-1-piperazin-1-iumyl]propanenitrile IUPAC Name: 3-[4-(4-bromo-2-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]propanenitrile Traditional Name: 3-[4-(4-bromo-2-chloro-phenyl)sulfonylpiperazin-1-ium-1-yl]propionitrile Formula: C13H16BrClN3O2S+ MolecularWeight: 393.70704

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15BrClN3O2S/c14-11-2-3-13(12(15)10-11)21(19,20)18-8-6-17(7-9-18)5-1-4-16/h2-3,10H,1,5-9H2/p+1