4-[4-(3-bromophenyl)sulfonylpiperazin-1-ium-1-yl]butanenitrile

Systemtic Name: 4-[4-(3-bromophenyl)sulfonylpiperazin-1-ium-1-yl]butanenitrile Openeye Name: 4-[4-(3-bromophenyl)sulfonylpiperazin-1-ium-1-yl]butanenitrile CAS Name: 4-[4-(3-bromophenyl)sulfonyl-1-piperazin-1-iumyl]butanenitrile IUPAC Name: 4-[4-(3-bromophenyl)sulfonylpiperazin-1-ium-1-yl]butanenitrile Traditional Name: 4-[4-(3-bromophenyl)sulfonylpiperazin-1-ium-1-yl]butyronitrile Formula: C14H19BrN3O2S+ MolecularWeight: 373.28856

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18BrN3O2S/c15-13-4-3-5-14(12-13)21(19,20)18-10-8-17(9-11-18)7-2-1-6-16/h3-5,12H,1-2,7-11H2/p+1