4-[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]butanenitrile

Systemtic Name: 4-[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]butanenitrile Openeye Name: 4-[4-(p-tolylsulfonyl)piperazin-1-ium-1-yl]butanenitrile CAS Name: 4-[4-(4-methylphenyl)sulfonyl-1-piperazin-1-iumyl]butanenitrile IUPAC Name: 4-[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]butanenitrile Traditional Name: 4-(4-tosylpiperazin-1-ium-1-yl)butyronitrile Formula: C15H22N3O2S+ MolecularWeight: 308.41908

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CCCC#N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CCCC#N

InChI

InChI=1S/C15H21N3O2S/c1-14-4-6-15(7-5-14)21(19,20)18-12-10-17(11-13-18)9-3-2-8-16/h4-7H,2-3,9-13H2,1H3/p+1