4-[4-(phenylsulfonyl)piperazin-1-ium-1-yl]butanenitrile

Systemtic Name: 4-[4-(phenylsulfonyl)piperazin-1-ium-1-yl]butanenitrile Openeye Name: 4-[4-(benzenesulfonyl)piperazin-1-ium-1-yl]butanenitrile CAS Name: 4-[4-(benzenesulfonyl)-1-piperazin-1-iumyl]butanenitrile IUPAC Name: 4-[4-(benzenesulfonyl)piperazin-1-ium-1-yl]butanenitrile Traditional Name: 4-(4-besylpiperazin-1-ium-1-yl)butyronitrile Formula: C14H20N3O2S+ MolecularWeight: 294.3925

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H19N3O2S/c15-8-4-5-9-16-10-12-17(13-11-16)20(18,19)14-6-2-1-3-7-14/h1-3,6-7H,4-5,9-13H2/p+1