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

Systemtic Name: 4-[4-(4-bromanyl-2-chloranyl-phenyl)sulfonylpiperazin-1-ium-1-yl]butanenitrile Openeye Name: 4-[4-(4-bromo-2-chloro-phenyl)sulfonylpiperazin-1-ium-1-yl]butanenitrile CAS Name: 4-[4-(4-bromo-2-chlorophenyl)sulfonyl-1-piperazin-1-iumyl]butanenitrile IUPAC Name: 4-[4-(4-bromo-2-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]butanenitrile Traditional Name: 4-[4-(4-bromo-2-chloro-phenyl)sulfonylpiperazin-1-ium-1-yl]butyronitrile Formula: C14H18BrClN3O2S+ MolecularWeight: 407.73362

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H17BrClN3O2S/c15-12-3-4-14(13(16)11-12)22(20,21)19-9-7-18(8-10-19)6-2-1-5-17/h3-4,11H,1-2,6-10H2/p+1